| CAS Number | 1582770-07-7 |
| Catalog Number | AG00IOAV(AGN-PC-0WAREO) |
| Chemical Name | 2-Oxo-2-phenylethyl 2-[(4-chlorophenyl)carbamoyl]acetate |
| IUPAC Name | phenacyl 3-(4-chloroanilino)-3-oxopropanoate |
| InChI | InChI=1S/C17H14ClNO4/c18-13-6-8-14(9-7-13)19-16(21)10-17(22)23-11-15(20)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,21) |
| InChI Key | JQAQSENSMRAEJB-UHFFFAOYSA-N |
| MDL Number | MFCD27980586 |
| Molecular Formula | C17H14ClNO4 |
| Molecular Weight | 331.7504 |
| SMILES | ClC2(=CC=C(NC(=O)CC(=O)OCC(=O)C1(=CC=CC=C1))C=C2) |
| Synonyms | 2-oxo-2-phenylethyl 2-[(4-chlorophenyl)carbamoyl]acetate,
1582770-07-7,
KS-00001TH4,
ZINC96179322,
AKOS025393860,
OR310556,
1G-056,
2-Oxo-2-phenylethyl 2-[(4-chlorophenyl)-carbamoyl]acetate,
|
| Complexity | 426 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.752g/mol |
| Monoisotopic Mass | 331.061g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 72.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number