| CAS Number | 95262-10-5 |
| Catalog Number | AG00IIWH(AGN-PC-0L9HU2) |
| Chemical Name | Propanoic acid, 3-[(4-fluorophenyl)amino]-3-oxo- |
| IUPAC Name | 3-(4-fluoroanilino)-3-oxopropanoic acid |
| InChI | InChI=1S/C9H8FNO3/c10-6-1-3-7(4-2-6)11-8(12)5-9(13)14/h1-4H,5H2,(H,11,12)(H,13,14) |
| InChI Key | ISLQUPSDLYAGBQ-UHFFFAOYSA-N |
| MDL Number | MFCD00201972 |
| Molecular Formula | C9H8FNO3 |
| Molecular Weight | 197.1631 |
| SMILES | O=C(Nc1ccc(cc1)F)CC(=O)O |
| Synonyms | 95262-10-5,
3-(4-fluoroanilino)-3-oxopropanoic acid,
2-[(4-fluorophenyl)carbamoyl]acetic Acid,
3-(4-fluorophenylamino)-3-oxopropanoic acid,
3-((4-Fluorophenyl)amino)-3-oxopropanoic acid,
Propanoic acid, 3-[(4-fluorophenyl)amino]-3-oxo-,
AC1N8CYB,
Oprea1_312082,
SCHEMBL105772,
KS-00001YBM,
ISLQUPSDLYAGBQ-UHFFFAOYSA-N,
ZINC2557476,
MFCD00201972,
AKOS008968524,
MCULE-2071362837,
CS-0060252,
6H-071,
CID4341843,
3-(4-fluorophenylamino)-3-oxo-propanoic acid,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.165g/mol |
| Monoisotopic Mass | 197.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number