Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, ethyl ester
Basic information
- CAS
88599-38-6- Standard SMILES
CCOC(=O)c1cc(Cl)ccc1OC(N)=O- InChIKey
HZMSXSATHGSRPG-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO4
- Average molar mass
- 243.64 g/mol
- Monoisotopic mass
- 243.0298355
Names & identifiers
- Preferred name
- Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, ethyl ester
- IUPAC
- ethyl 2-carbamoyloxy-5-chlorobenzoate
Names & synonyms
88599-38-6BRN 5033415Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, ethyl esterEthyl 2-((aminocarbonyl)oxy)-5-chlorobenzoateDTXSID20237174RefChem:326721DTXCID20159665NSC620230CHEMBL2005253NSC-620230NCI60_005974ETHYL 2-(CARBAMOYLOXY)-5-CHLOROBENZOATE
Database identifiers
- CAS
88599-38-6- PubChem CID
- 359387
- DTXSID
DTXSID20237174- ChEMBL
CHEMBL2005253
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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