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2-bromo-4-methyl-5-nitrophenol structure

3D Mol Similar

2-bromo-4-methyl-5-nitrophenol structure

2-bromo-4-methyl-5-nitrophenol

: CAS No.: 103448-24-4; Molecular Weight：232.03100; Modify Date.: 2022-11-06 08:19

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1. Names and Identifiers

: 1.1 Name; 2-bromo-4-methyl-5-nitrophenol; 1.2 Synonyms; 2-Brom-4-methyl-5-nitro-phenol 2-bromo-4-methyl-5-nitro-phenol 5-Brom-2-nitro-4-hydroxy-toluol Phenol,2-bromo-4-methyl-5-nitro

1.3 CAS No.: 103448-24-4

1.4 CID: 13884685

1.5 Molecular Formula: C7H6BrNO3 (isomer)

1.6 Inchi: InChI=1S/C7H6BrNO3/c1-4-2-5(8)7(10)3-6(4)9(11)12/h2-3,10H,1H3

1.7 InChIkey: UNDCYNWWVCTFES-UHFFFAOYSA-N

1.8 Canonical Smiles: CC1=CC(=C(C=C1[N+](=O)[O-])O)Br

1.9 Isomers Smiles: CC1=CC(=C(C=C1[N+](=O)[O-])O)Br

2. Properties

2.1 Precise Quality: 230.95300

2.1 PSA: 66.05000

2.1 logP: 2.89450

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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4. NMR Spectrum

13C NMR : Predict

13C NMR : Predict 2-bromo-4-methyl-5-nitrophenol 103448-24-4

1H NMR : Predict

1H NMR : Predict 2-bromo-4-methyl-5-nitrophenol 103448-24-4

5. Computational chemical data

Molecular Weight: 232.03100g/mol
Molecular Formula: C₇H₆BrNO₃
Compound Is Canonicalized: True
XLogP3-AA: 2.5
Exact Mass: 230.95311
Monoisotopic Mass: 230.95311
Complexity: 182
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 66
Heavy Atom Count: 12
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYBiMAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgBECAABrAyBmAAyxoAQQgCBAiRCQwCCAAAgIgQgiAAGbKoIJiKCkZOAcABmwBkI2heQ0AEOIAAgEgACBABAAEAkAAQIAAAAAAAAAA==

6. Recommended Suppliers

Global1Suppliers View all >>

SHANGHAI ZZBIO CO., LTD.

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2-Bromo-4-methyl-5-nitrophenol

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/23

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7. Realated Product Infomation

4-bromo-5-methyl-2-nitrophenol

182500-28-3 4-bromo-5-methyl-2-nitrophenol

2-BROMO-4-METHYL-6-NITROPHENOL

20039-91-2 2-BROMO-4-METHYL-6-NITROPHENOL

4-BROMO-2-METHYL-6-NITROPHENOL

20294-50-2 4-BROMO-2-METHYL-6-NITROPHENOL

4-BroMo-3-Methyl-2-nitrophenol

85598-12-5 4-BroMo-3-Methyl-2-nitrophenol

2-BROMO-5-METHYL-4-NITROPHENOL

14401-60-6 2-BROMO-5-METHYL-4-NITROPHENOL

2-BROMO-3-METHYL-4-NITROPHENOL

123874-20-4 2-BROMO-3-METHYL-4-NITROPHENOL

4-BroMo-2-Methyl-5-nitrophenol

103460-73-7 4-BroMo-2-Methyl-5-nitrophenol

Recently Updated : 1980049-97-5 1980049-76-0 1980049-26-0 1980048-99-4 1980038-69-4 1980075-71-5 1980086-98-3 1980085-96-8 1980048-34-7 1980086-88-1

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1. Names and Identifiers

: 1.1 Name; 1.2 Synonyms; 1.3 CAS No.; 1.4 CID; 1.5 Molecular Formula; 1.6 Inchi; 1.7 InChIkey; 1.8 Canonical Smiles; 1.9 Isomers Smiles

2. Properties

: 2.1 Precise Quality; 2.1 PSA; 2.1 logP

3. MSDS

4. NMR Spectrum

5. Computational chemical data

6. Recommended Suppliers

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