| CAS Number | 918157-04-7 |
| Catalog Number | AG019P3F |
| Chemical Name | 2-[(2,4-difluorophenyl)formamido]acetic acid |
| IUPAC Name | 2-[(2,4-difluorobenzoyl)amino]acetic acid |
| InChI | InChI=1S/C9H7F2NO3/c10-5-1-2-6(7(11)3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14) |
| InChI Key | JHPSRKOZCSKFKG-UHFFFAOYSA-N |
| MDL Number | MFCD09802000 |
| Molecular Formula | C9H7F2NO3 |
| Molecular Weight | 215.1536 |
| SMILES | OC(CNC(C1=C(F)C=C(F)C=C1)=O)=O |
| Synonyms | 2-[(2,4-difluorophenyl)formamido]acetic acid,
918157-04-7,
[(2,4-difluorobenzoyl)amino]acetic acid,
AC1Q75XP,
SCHEMBL15610344,
ZINC12504814,
AKOS000264624,
MCULE-6711985990,
NE40072,
EN300-18562,
Z85886770,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.156g/mol |
| Monoisotopic Mass | 215.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number