Basic information
- CAS
2610-70-0- Standard SMILES
CCCCCOC(=O)Nc1cccc(Cl)c1- InChIKey
QPTIVGIBKHFYRF-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0869564
Names & identifiers
- Preferred name
- (3-Chlorophenyl)carbamic acid, pentyl ester
- IUPAC
- pentyl N-(3-chlorophenyl)carbamate
Names & synonyms
2610-70-0NSC2443(3-CHLOROPHENYL)CARBAMIC ACID, PENTYL ESTERSCHEMBL27898897DTXSID70948980NSC-2443Pentyl hydrogen (3-chlorophenyl)carbonimidate
Database identifiers
- CAS
2610-70-0- PubChem CID
- 220142
- DTXSID
DTXSID70948980
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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