Basic information
- CAS
7399-76-0- Standard SMILES
CC(C)OC(=O)C(=O)Nc1cccc(Cl)c1- InChIKey
AKQLILNIFMOGQL-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3
- Average molar mass
- 241.67 g/mol
- Monoisotopic mass
- 241.0505709
Names & identifiers
- Preferred name
- 3'-Chlorooxanilic acid isopropyl ester
- IUPAC
- propan-2-yl 2-(3-chloroanilino)-2-oxoacetate
- English name
- N-(3-Chlorophenyl)oxamidic acid isopropyl ester
- Molecular weight
- 0
Names & synonyms
3'-Chlorooxanilic acid isopropyl esterU2DZQ48PEDOXANILIC ACID, 3'-CHLORO-, ISOPROPYL ESTERNSC 58430NSC-58430DTXSID40224783ACETIC ACID, 2-((3-CHLOROPHENYL)AMINO)-2-OXO-, 1-METHYLETHYL ESTERRefChem:198019DTXCID701472747399-76-0Acetic acid, ((2-chlorophenyl)amino)oxo-, 1-methylethyl esterUNII-U2DZQ48PED
Show more names
N-(3-Chlorophenyl)oxamidic acid isopropyl ester
Oxanilic acid, isopropyl esterNSC58430Oxanilic acid, 3'-chloro-,isopropyl esterPropan-2-yl (3-chloroanilino)(oxo)acetateisopropyl 2-(3-chloroanilino)-2-oxo-acetate
Database identifiers
- CAS
7399-76-0- PubChem CID
- 23883
- DTXSID
DTXSID40224783- UNII
- U2DZQ48PED
- Nikkaji
- J42.595H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- FDA UNII
- 2 DZQ48PED · U2DZQ48PED
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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