| CAS Number | 748776-38-7 |
| Catalog Number | AG00ICKC |
| Chemical Name | 2-{[(2-Fluorophenyl)carbamoyl]methoxy}benzoic acid |
| IUPAC Name | 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoic acid |
| InChI | InChI=1S/C15H12FNO4/c16-11-6-2-3-7-12(11)17-14(18)9-21-13-8-4-1-5-10(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20) |
| InChI Key | DIAPZYQWCZGAOV-UHFFFAOYSA-N |
| MDL Number | MFCD03653050 |
| Molecular Formula | C15H12FNO4 |
| Molecular Weight | 289.2585 |
| SMILES | O=C(Nc1ccccc1F)COc1ccccc1C(=O)O |
| Synonyms | 2-{[(2-fluorophenyl)carbamoyl]methoxy}benzoic acid,
748776-38-7,
Enamine_003855,
2-[(2-Fluoro-phenylcarbamoyl)-methoxy]-benzoic acid,
CTK7G7776,
HMS1404P05,
ZINC3259179,
AKOS000114620,
MCULE-9135556190,
NE30181,
IDI1_007498,
EN300-00210,
Z56851160,
AC1M5CHG,
AC1Q72K3,
CID2375931,
2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoic acid,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.075036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.26g/mol |
| Monoisotopic Mass | 289.075036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number