Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-
Basic information
- CAS
99902-77-9- Standard SMILES
N#Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1Cl- InChIKey
OVUDUJKNHDOXEX-UHFFFAOYSA-N- Molecular formula
- C13H7ClN2O3
- Average molar mass
- 274.66 g/mol
- Monoisotopic mass
- 274.0145198
Names & identifiers
- Preferred name
- Benzonitrile, 2-(2-chlorophenoxy)-5-nitro-
- IUPAC
- 2-(2-chlorophenoxy)-5-nitrobenzonitrile
Names & synonyms
99902-77-92-(2-chlorophenoxy)-5-nitrobenzonitrileBenzonitrile, 2-(2-chlorophenoxy)-5-nitro-CHEMBL137710DTXSID30244319EBC-12074AKOS017261876PD0961122-(2-chlorophenoxy)-5-nitro-benzonitrileEN300-17498854Z31206923
Database identifiers
- CAS
99902-77-9- PubChem CID
- 514840
- DTXSID
DTXSID30244319- ChEMBL
CHEMBL137710
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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