Basic information
- CAS
6622-16-8- Standard SMILES
O=C(Nc1ccc(Cl)cc1)OCc1ccccc1- InChIKey
MCVYHOYRKULIFW-UHFFFAOYSA-N- Molecular formula
- C14H12ClNO2
- Average molar mass
- 261.7 g/mol
- Monoisotopic mass
- 261.0556563
Names & identifiers
- Preferred name
- benzyl N-(4-chlorophenyl)carbamate
- IUPAC
- benzyl N-(4-chlorophenyl)carbamate
- English name
- Carbamic acid, (4-chlorophenyl)-, phenylmethyl ester (9CI)
- Molecular formula
- C14H12ClNO2
- Molecular weight
- 261.7
Names & synonyms
6622-16-8benzyl N-(4-chlorophenyl)carbamatebenzyl (4-chlorophenyl)carbamateCarbamic acid, (4-chlorophenyl)-, phenylmethyl esterNSC56524NCIOpen2_002547SCHEMBL3795024DTXSID90984704NSC-56524AKOS003443151HS-4470SR-01000197180
Show more names
Carbamic acid, N-(4-chlorophenyl)-, phenylmethyl esterCarbamic acid, (4-chlorophenyl)-, phenylmethyl ester (9CI)
SR-01000197180-1
Database identifiers
- CAS
6622-16-8- PubChem CID
- 245035
- DTXSID
DTXSID90984704- Nikkaji
- J1.394.443A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 110 °C · 110 °C
- Boiling point
- 352.6 · 352.6±35.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- pka
- 12.93 · 12.93±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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