Basic information
- CAS
5330-47-2- Standard SMILES
N#CCCOC(=O)Nc1cccc(Cl)c1- InChIKey
MPBQWHXSXRKKPK-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O2
- Average molar mass
- 224.64 g/mol
- Monoisotopic mass
- 224.0352552
Names & identifiers
- Preferred name
- (3-Chlorophenyl)carbamic acid, 2-cyanoethyl ester
- IUPAC
- 2-cyanoethyl N-(3-chlorophenyl)carbamate
Names & synonyms
5330-47-2(3-CHLOROPHENYL)CARBAMIC ACID, 2-CYANOETHYL ESTERm-Chlorocarbanilic acid, 2-cyanoethyl esterDTXSID60967887NSC2478NSC-24782-Cyanoethyl hydrogen (3-chlorophenyl)carbonimidate
Database identifiers
- CAS
5330-47-2- PubChem CID
- 220153
- DTXSID
DTXSID60967887
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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