2-Chloro-1,3-dimethyl-4-nitrobenzene

HCID 21396331
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Basic information

Standard SMILES
Cc1ccc([N+](=O)[O-])c(C)c1Cl
InChIKey
PENAZECQLVPOLV-UHFFFAOYSA-N
Molecular formula
C8H8ClNO2
Average molar mass
185.61 g/mol
Monoisotopic mass
185.0243562

Names & identifiers

Preferred name
2-Chloro-1,3-dimethyl-4-nitrobenzene
IUPAC
2-chloro-1,3-dimethyl-4-nitrobenzene

Names & synonyms

2-chloro-1,3-dimethyl-4-nitrobenzene35113-96-32-Chloro-4-nitro-m-xylene2-chloro-1,3-dimethyl-4-nitro-benzeneMFCD28363405SCHEMBL768285SCHEMBL9653333SCHEMBL29796095PENAZECQLVPOLV-UHFFFAOYSA-NDB-104405C90909

Database identifiers

PubChem CID
21396331

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

Related reactions

4 records
New reaction record

Compound notes

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