1,3-Dichloro-2-methyl-4-nitrobenzene

C₇H₅Cl₂NO₂CAS 29682-46-0206.02 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅Cl₂NO₂
Molar mass: 206.02 g/mol
Exact mass: 204.9697 Da
logP: 3.21Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

29682-46-0

SMILES

Cc1c(Cl)ccc([N+](=O)[O-])c1Cl

InChIKey

WBNZUUIFTPNYRN-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,3-dichloro-2-methyl-4-nitro-
Toluene, 2,6-dichloro-3-nitro-
2,6-Dichloro-3-nitrotoluene
NSC 102503

Work with 1,3-Dichloro-2-methyl-4-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

Similar compounds

2,3,4-Trichloronitrobenzene17700-09-369 % similar 1-Chloro-2-methyl-3-nitrobenzene83-42-165 % similar 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-361 % similar 2,3-Dichloronitrobenzene3209-22-159 % similar 2,6-Dichloro-3-nitrobenzonitrile5866-98-856 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-756 % similar 2-Chloro-1-methyl-3-nitrobenzene3970-40-956 % similar 2,6-Dinitrotoluene606-20-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-6-methoxyisonicotinoyl chloride116853-97-5 Chloramben133-90-4 3,5-Dichloroanthranilic acid2789-92-6 Methyl 2,6-dichloroisonicotinate42521-09-5 4-Amino-3,5-dichlorobenzoic acid56961-25-2

Elsewhere

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