AG-690/15438541
Basic information
- CAS
17710-00-8- Standard SMILES
CCOC(=O)C(=O)Nc1cccc(Cl)c1- InChIKey
ROIXZGUCSLCCRW-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO3
- Average molar mass
- 227.64 g/mol
- Monoisotopic mass
- 227.0349209
Names & identifiers
- Preferred name
- AG-690/15438541
- IUPAC
- ethyl 2-(3-chloroanilino)-2-oxoacetate
- English name
- ethyl (3-chloroanilino)(oxo)acetate
- Molecular formula
- C10H10ClNO3
- Molecular weight
- 227.64
Names & synonyms
17710-00-8DTXSID50332560AG-690/15438541RefChem:317374DTXCID40283653ethyl 2-(3-chloroanilino)-2-oxoacetateETHYL [(3-CHLOROPHENYL)CARBAMOYL]FORMATEethyl (3-chloroanilino)(oxo)acetateEthyl 2-((3-chlorophenyl)amino)-2-oxoacetateAcetic acid, 2-[(3-chlorophenyl)amino]-2-oxo-, ethyl esterMFCD01806306ethyl 2-(3-chloroanilino)-2-oxo-acetate
Show more names
Ethyl (m-chlorophenyl)oxamate
ethyl [N-(3-chlorophenyl)carbamoyl]formatem-Chlorooxanilic acid, ethyl esterAcetic acid, [(3-chlorophenyl)amino]oxo-, ethyl esterCHEMBL4912257SCHEMBL11612418ROIXZGUCSLCCRW-UHFFFAOYSA-NSBB000683STK128323
Database identifiers
- CAS
17710-00-8- PubChem CID
- 458730
- DTXSID
DTXSID50332560- ChEMBL
CHEMBL4912257- Nikkaji
- J1.871.905C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Density
- 1.331 · 1.331±0.06 g/cm3(Predicted)
- pka
- 10.62 · 10.62±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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