| CAS Number | 155894-96-5 |
| Catalog Number | AG00B8U5(AGN-PC-0Q6Z5W) |
| Chemical Name | (2S)-2-phenyl-2-(trifluoroacetamido)acetic acid |
| IUPAC Name | (2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid |
| InChI | InChI=1S/C10H8F3NO3/c11-10(12,13)9(17)14-7(8(15)16)6-4-2-1-3-5-6/h1-5,7H,(H,14,17)(H,15,16)/t7-/m0/s1 |
| InChI Key | AFPBGEGBLXHXNY-ZETCQYMHSA-N |
| MDL Number | MFCD00192397 |
| Molecular Formula | C10H8F3NO3 |
| Molecular Weight | 247.1706 |
| SMILES | OC([C@H](C1=CC=CC=C1)NC(C(F)(F)F)=O)=O |
| Synonyms | (S)-(+)-2-Phenyl-N-(Trifluoroacetyl)Glycine,
155894-96-5,
AC1LOQWP,
AC1Q719Z,
AC1Q71A0,
SCHEMBL3172158,
ZINC3851684,
N-(Trifluoroacetyl)-L-phenylglycine,
AKOS004909707,
(S)-()-2-Phenyl-N-(Trifluoroacetyl)Glycine,
(2S)-phenyl[(trifluoroacetyl)amino]ethanoic acid,
(2S)-2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic acid,
(S)-(+)-2-PHENYL-N-(TRIFLUOROACETYL)-GLY CINE, 99%,
CID1268083,
(+)-N-TRIFLUOROACETYL-L-PHENYLGLYCINE,
2-phenyl-2-[(2,2,2-trifluoroacetyl)amino]acetic Acid,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number