1-Chloro-3-methyl-2-nitrobenzene

C₇H₆ClNO₂CAS 5367-26-0171.58 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: 22–23 °C
Boiling point: 107–108 °C (at 9.5 Torr)
logP: 2.56Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

5367-26-0

SMILES

Cc1cccc(Cl)c1[N+](=O)[O-]

InChIKey

JLDKNVUJLUGIBQ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

6 names

Benzene, 1-chloro-3-methyl-2-nitro-
Toluene, 3-chloro-2-nitro-
2-Nitro-3-chlorotoluene
3-Chloro-2-nitrotoluene
2-Chloro-6-methyl-1-nitrobenzene
6-Methyl-2-chloro-1-nitrobenzene

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