Basic information
- CAS
103576-41-6- Standard SMILES
N#Cc1cc(NC(=O)Oc2ccccc2)ccc1Cl- InChIKey
OVMZDPUWIKZVIX-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O2
- Average molar mass
- 272.68 g/mol
- Monoisotopic mass
- 272.0352552
Names & identifiers
- Preferred name
- 4-Chloro-3-cyanophenylcarbamic acid phenyl ester
- IUPAC
- phenyl N-(4-chloro-3-cyanophenyl)carbamate
- English name
- 4-Chloro-3-cyanophenylcarbamic acid phenyl ester
- Molecular weight
- 0
Names & synonyms
103576-41-64-Chloro-3-cyanophenylcarbamic acid phenyl esterPHENYL N-(4-CHLORO-3-CYANOPHENYL)CARBAMATEPhenyl (4-chloro-3-cyanophenyl)carbamateSCHEMBL9488977SCHEMBL30023038DTXSID60546717AKOS013916840
Database identifiers
- CAS
103576-41-6- PubChem CID
- 13685331
- DTXSID
DTXSID60546717- Nikkaji
- J138.302G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…