1-Chloro-2-methyl-3-nitrobenzene

C₇H₆ClNO₂CAS 83-42-1171.58 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₆ClNO₂
Molar mass: 171.58 g/mol
Exact mass: 171.0087 Da
Melting point: 37.8 °C
Boiling point: 238 °C
logP: 2.56Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

83-42-1

SMILES

Cc1c(Cl)cccc1[N+](=O)[O-]

InChIKey

XCSNRORTQRKCHB-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Benzene, 1-chloro-2-methyl-3-nitro-
Toluene, 2-chloro-6-nitro-
2-Chloro-6-nitrotoluene
6-Chloro-2-nitrotoluene
3-Chloro-2-methylnitrobenzene
3-Chloro-2-methyl-1-nitrobenzene
2-Methyl-3-chloronitrobenzene
NSC 49147
2-Methyl-3-nitrochlorobenzene

Work with 1-Chloro-2-methyl-3-nitrobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Same formula

4-Nitrobenzyl chloride100-14-1 2-Chloro-4-nitrotoluene121-86-8 1-Chloro-2-methyl-4-nitrobenzene13290-74-9 2-Amino-6-chlorobenzoic acid2148-56-3 3-Amino-5-chlorobenzoic acid21961-30-8 4-Amino-2-chlorobenzoic acid2457-76-3 4-Amino-3-chlorobenzoic acid2486-71-7 3-Amino-4-chlorobenzoic acid2840-28-0

Elsewhere

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