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

C7H5Cl2NO2CAS 7149-69-1206.02 g/mol

Open in Covalent MOL file
ClN+OO−Cl
Aryl halideNitro

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

Weigh it out

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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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