Basic information
- CAS
17959-33-0- Standard SMILES
CC(C)c1cccc(OC(=O)NCC(=O)CCl)c1- InChIKey
WSBNBVCLSWQGIC-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO3
- Average molar mass
- 269.72 g/mol
- Monoisotopic mass
- 269.0818711
Names & identifiers
- Preferred name
- Carbamic acid, (chloroacetyl)methyl-, m-cumenyl ester
- IUPAC
- (3-propan-2-ylphenyl) N-(3-chloro-2-oxopropyl)carbamate
Names & synonyms
Hercules 9007OMS-1064ENT 27,334(Chloroacetyl)methylcarbamic acid m-cumenyl esterBRN 1885506CARBAMIC ACID, (CHLOROACETYL)METHYL-, m-CUMENYL ESTER17959-33-0DTXSID40170837Carbamic acid, (chloroacetyl)methyl-, 3-(1-methylethyl)phenyl esterRefChem:332220DTXCID2093328Carbamic acid, (chloroacetyl)methyl-, 3-(1-methylethyl)phenyl ester (9CI)
Show more names
3-(propan-2-yl)phenyl (3-chloro-2-oxopropyl)carbamate
Database identifiers
- CAS
17959-33-0- PubChem CID
- 28850
- DTXSID
DTXSID40170837
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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