| CAS Number | 1102888-26-5 |
| Catalog Number | AG01C5CF |
| Chemical Name | (2S)-2-[(4-fluorophenyl)formamido]-3-hydroxypropanoic acid |
| IUPAC Name | (2S)-2-[(4-fluorobenzoyl)amino]-3-hydroxypropanoic acid |
| InChI | InChI=1S/C10H10FNO4/c11-7-3-1-6(2-4-7)9(14)12-8(5-13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)/t8-/m0/s1 |
| InChI Key | UXACWZYNADSDND-QMMMGPOBSA-N |
| MDL Number | MFCD12795637 |
| Molecular Formula | C10H10FNO4 |
| Molecular Weight | 227.1891 |
| SMILES | OC[C@@H](C(O)=O)NC(C1=CC=C(F)C=C1)=O |
| Synonyms | (2S)-2-[(4-fluorophenyl)formamido]-3-hydroxypropanoic acid,
1102888-26-5,
SCHEMBL12983839,
UXACWZYNADSDND-QMMMGPOBSA-N,
ZINC21957525,
(S)-2-(4-fluorobenzamido)-3-hydroxypropanoic acid,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.059386g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.19g/mol |
| Monoisotopic Mass | 227.059386g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number