Basic information
- CAS
866042-32-2- Standard SMILES
Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1[N+](=O)[O-]- InChIKey
ZZZRTFVXVVEQGQ-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2N2O2
- Average molar mass
- 321.2 g/mol
- Monoisotopic mass
- 320.011933
Names & identifiers
- Preferred name
- 2-(2-Chloro-5-methyl-4-nitrophenyl)-2-(4-chlorophenyl)acetonitrile
- IUPAC
- 2-(2-chloro-5-methyl-4-nitrophenyl)-2-(4-chlorophenyl)acetonitrile
Names & synonyms
2-(2-chloro-5-methyl-4-nitrophenyl)-2-(4-chlorophenyl)acetonitrile866042-32-2SCHEMBL10421673DTXSID701174318MFCD05670530AKOS005110221AKOS025393418MS-3379(2-Chloro-5-methyl-4-nitrophenyl)(4-chlorophenyl)acetonitrile2-Chloro-I+/--(4-chlorophenyl)-5-methyl-4-nitrobenzeneacetonitrile2-(2-chloro-5-methyl-4-nitro-phenyl)-2-(4-chlorophenyl)acetonitrile
Database identifiers
- CAS
866042-32-2- PubChem CID
- 3701005
- DTXSID
DTXSID701174318
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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