| CAS Number | 630117-94-1 |
| Catalog Number | AG019ZBX |
| Chemical Name | 2-{[2-(Trifluoromethyl)phenyl]formamido}acetic acid |
| IUPAC Name | 2-[[2-(trifluoromethyl)benzoyl]amino]acetic acid |
| InChI | InChI=1S/C10H8F3NO3/c11-10(12,13)7-4-2-1-3-6(7)9(17)14-5-8(15)16/h1-4H,5H2,(H,14,17)(H,15,16) |
| InChI Key | ICMKIQQGWGHTGR-UHFFFAOYSA-N |
| MDL Number | MFCD09050286 |
| Molecular Formula | C10H8F3NO3 |
| Molecular Weight | 247.1706 |
| SMILES | OC(CNC(C1=C(C(F)(F)F)C=CC=C1)=O)=O |
| Synonyms | 2-{[2-(trifluoromethyl)phenyl]formamido}acetic acid,
630117-94-1,
SCHEMBL4007613,
CTK7J5227,
ICMKIQQGWGHTGR-UHFFFAOYSA-N,
ZINC22148777,
AKOS000134197,
2-(trifluoromethyl)benzamidoacetic acid,
MCULE-9511592788,
NE28692,
2-[2-(trifluoromethyl)benzoylamino]acetic acid,
Q-101057,
{[2-(TRIFLUOROMETHYL)BENZOYL]AMINO}ACETIC ACID,
Z85886702,
N-[[4-(Trifluoromethyl)-3-pyridinyl]carbonyl]-glycine,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.173g/mol |
| Monoisotopic Mass | 247.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number