Basic information
- CAS
5333-70-0- Standard SMILES
CC(C)CCOC(=O)Nc1cccc(Cl)c1- InChIKey
SOZGUQOVHHPVQU-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0869564
Names & identifiers
- Preferred name
- (3-Chlorophenyl)carbamic acid, 3-methylbutyl ester
- IUPAC
- 3-methylbutyl N-(3-chlorophenyl)carbamate
Names & synonyms
5333-70-0(3-CHLOROPHENYL)CARBAMIC ACID, 3-METHYLBUTYL ESTERNSC2442DTXSID50967937NSC-24423-Methylbutyl hydrogen (3-chlorophenyl)carbonimidate
Database identifiers
- CAS
5333-70-0- PubChem CID
- 220141
- DTXSID
DTXSID50967937
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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