Basic information
- Standard SMILES
COc1cc(CC#N)ccc1[N+](=O)[O-]- InChIKey
IDPPRCQJYOEPEJ-UHFFFAOYSA-N- Molecular formula
- C9H8N2O3
- Average molar mass
- 192.17 g/mol
Names & identifiers
- Preferred name
- 2-(3-Methoxy-4-nitrophenyl)acetonitrile
- IUPAC
- 2-(3-methoxy-4-nitrophenyl)acetonitrile
Names & synonyms
2-(3-methoxy-4-nitrophenyl)acetonitrile104103-16-42-(3-methoxy-4-nitro-phenyl)acetonitrileMFCD13192129(3-methoxy-4-nitrophenyl)acetonitrile[3-Methoxy-4-nitrophenyl]acetonitrileSCHEMBL520839IDPPRCQJYOEPEJ-UHFFFAOYSA-NEEA10316AKOS012988884(3-methoxy-4-nitro-phenyl)-acetonitrileAS-47333
Show more names
CS-0376368EN300-102258F13307F527687Z1147224827
Database identifiers
- PubChem CID
- 13629317
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 253
Related reactions
8 records
Compound notes
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