2-Amino-5-methyl-4-phenyl-6-(m-chloro-phenyl)-3-nitrobenzonitrile
Basic information
- CAS
1162678-12-7- Standard SMILES
Cc1c(-c2cccc(Cl)c2)c(C#N)c(N)c([N+](=O)[O-])c1-c1ccccc1- InChIKey
WWYOKPFYLGCTOJ-UHFFFAOYSA-N- Molecular formula
- C20H14ClN3O2
- Average molar mass
- 363.8 g/mol
- Monoisotopic mass
- 363.0774544
Names & identifiers
- Preferred name
- 2-Amino-5-methyl-4-phenyl-6-(m-chloro-phenyl)-3-nitrobenzonitrile
- IUPAC
- 2-amino-6-(3-chlorophenyl)-5-methyl-3-nitro-4-phenylbenzonitrile
Names & synonyms
1162678-12-72-amino-5-methyl-4-phenyl-6-(m-chloro-phenyl)-3-nitrobenzonitrileDTXSID40704974DB-2928362~5~-Amino-3~3~-chloro-2~2~-methyl-2~6~-nitro[1~1~,2~1~:2~3~,3~1~-terphenyl]-2~4~-carbonitrile
Database identifiers
- CAS
1162678-12-7- PubChem CID
- 53486540
- DTXSID
DTXSID40704974
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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