Carbamic acid, (3,5-dimethylphenyl)-, 4-chlorophenyl ester
Basic information
- CAS
197513-97-6- Standard SMILES
Cc1cc(C)cc(NC(=O)Oc2ccc(Cl)cc2)c1- InChIKey
GILCXCLBRJAHOA-UHFFFAOYSA-N- Molecular formula
- C15H14ClNO2
- Average molar mass
- 275.73 g/mol
- Monoisotopic mass
- 275.0713064
Names & identifiers
- Preferred name
- Carbamic acid, (3,5-dimethylphenyl)-, 4-chlorophenyl ester
- IUPAC
- (4-chlorophenyl) N-(3,5-dimethylphenyl)carbamate
- English name
- 4-Chlorophenyl N-(3,5-xylyl)carbamate
- Molecular formula
- C15H14ClNO2
- Molecular weight
- 275.73
Names & synonyms
197513-97-6Carbamic acid, (3,5-dimethylphenyl)-, 4-chlorophenyl esterRefChem:3319934-chlorophenyl 3,5-dimethylphenylcarbamateDTXSID501191439AKOS0243360424-Chlorophenyl (3,5-dimethylphenyl)carbamate4-Chlorophenyl N-(3,5-xylyl)carbamate
Database identifiers
- CAS
197513-97-6- PubChem CID
- 4150137
- DTXSID
DTXSID501191439
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 373.168 · 373.168±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.838 · 12.838±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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