Basic information
- CAS
22304-33-2- Standard SMILES
CC(=O)Nc1ccc(C#N)c(Cl)c1- InChIKey
FTXJCLDIIINVFE-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2O
- Average molar mass
- 194.62 g/mol
- Monoisotopic mass
- 194.0246905
Names & identifiers
- Preferred name
- BW 63-307
- IUPAC
- N-(3-chloro-4-cyanophenyl)acetamide
Names & synonyms
22304-33-22-CHLORO-4-ACETYLAMINOBENZONITRILEBW 63-307Acetamide, N-(3-chloro-4-cyanophenyl)-BW-63-307E5RR46DF69DTXSID30176848RefChem:122412DTXCID3099339N-(3-chloro-4-cyanophenyl)acetamideAcetamide,N-(3-chloro-4-cyanophenyl)-Oprea1_722108
Show more names
SCHEMBL16728601Acetanilide, 3'-chloro-4'-cyano-STL260218AKOS002376690ST50486246AS-871/14925059
Database identifiers
- CAS
22304-33-2- PubChem CID
- 31124
- DTXSID
DTXSID30176848- UNII
- E5RR46DF69
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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