Basic information
- CAS
135812-31-6- Standard SMILES
CC(C)OC(=O)Nc1ccc(Cl)c(C(=O)OC(C)C)c1- InChIKey
INORZYDFTQPNEU-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO4
- Average molar mass
- 299.75 g/mol
- Monoisotopic mass
- 299.0924357
Names & identifiers
- Preferred name
- Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl ester
- IUPAC
- propan-2-yl 2-chloro-5-(propan-2-yloxycarbonylamino)benzoate
Names & synonyms
135812-31-6Benzoic acid, 2-chloro-5-(((1-methylethoxy)carbonyl)amino)-, 1-methylethyl esterBenzoic acid, 2-chloro-5-[[(1-methylethoxy)carbonyl]amino]-, 1-methylethyl esterCHEMBL323077SCHEMBL8929781DTXSID80159540INORZYDFTQPNEU-UHFFFAOYSA-Nisopropyl 2-chloro-5-(isopropoxycarbonylamino)benzoate1-Methylethyl 2-chloro-5-[[1-methylethoxycarbonyl]amino]benzoatePropan-2-yl 2-chloro-5-({[(propan-2-yl)oxy]carbonyl}amino)benzoate
Database identifiers
- CAS
135812-31-6- PubChem CID
- 466508
- DTXSID
DTXSID80159540- ChEMBL
CHEMBL323077
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
3 records
Compound notes
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