1,3-Dichloro-2-methyl-5-nitrobenzene

C₇H₅Cl₂NO₂CAS 7149-69-1206.02 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7149-69-1

SMILES

CC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

InChIKey

RUVCGWLHTVGNGI-UHFFFAOYSA-N

InChI

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

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Work with 1,3-Dichloro-2-methyl-5-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

1,2,3-Trichloro-5-nitrobenzene20098-48-066 % similar 1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-561 % similar 2,6-Dichloro-4-nitrophenol618-80-461 % similar 2,6-Dichloro-4-nitroaniline99-30-961 % similar 2-Chloro-4-nitrotoluene121-86-861 % similar 1,3-Dichloro-2-methoxy-5-nitrobenzene17742-69-761 % similar TNT118-96-760 % similar 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-660 % 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 2-Amino-4,5-dichlorobenzoic acid20776-61-8 4,6-Dichloroanthranilic acid20776-63-0 3,5-Dichloroanthranilic acid2789-92-6 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-0 3,6-Dichloroanthranilic acid3032-32-4 Methyl 2,6-dichloroisonicotinate42521-09-5

Elsewhere

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