| CAS Number | 136815-01-5 |
| Catalog Number | AG009B9P(AGN-PC-0PL2U7) |
| Chemical Name | (S)-2-Acetamido-2-(4-fluorophenyl)acetic acid |
| IUPAC Name | (2S)-2-acetamido-2-(4-fluorophenyl)acetic acid |
| InChI | InChI=1S/C10H10FNO3/c1-6(13)12-9(10(14)15)7-2-4-8(11)5-3-7/h2-5,9H,1H3,(H,12,13)(H,14,15)/t9-/m0/s1 |
| InChI Key | HZTADRWBVNKKSJ-VIFPVBQESA-N |
| MDL Number | MFCD09878746 |
| Molecular Formula | C10H10FNO3 |
| Molecular Weight | 211.1897 |
| SMILES | CC(N[C@@H](C1=CC=C(F)C=C1)C(O)=O)=O |
| Synonyms | N-Acetyl-2-(4-fluorophenyl)-L-glycine,
136815-01-5,
(S)-Acetylamino-(4-fluoro-phenyl)-acetic acid,
(S)-2-Acetamido-2-(4-fluorophenyl)acetic acid,
(S)-Acetylamino-(4-fluorophenyl)-acetic acid,
PubChem13442,
(2S)-Acetamido(4-fluorophenyl)acetic acid,
CTK8F0557,
DTXSID70650617,
ACT08368,
MFCD09878746,
ZINC16696805,
AKOS015912386,
AJ-69173,
RT-014220,
I14-36559,
(alphaS)-alpha-(Acetylamino)-4-fluorobenzeneacetic acid,
Benzeneacetic acid,a-(acetylamino)-4-fluoro-,(S)-(9ci),
N-ACETYL-2- -L-GLYCINE,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.192g/mol |
| Monoisotopic Mass | 211.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number