| CAS Number | 1810074-58-8 |
| Catalog Number | AG0022KU(AGN-PC-0WAMAN) |
| Chemical Name | Benzeneacetic acid, α-amino-4-fluoro-3-methoxy-, hydrochloride (1:1), (αS)- |
| IUPAC Name | (2S)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetic acid;hydrochloride |
| InChI | InChI=1S/C9H10FNO3.ClH/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13;/h2-4,8H,11H2,1H3,(H,12,13);1H/t8-;/m0./s1 |
| InChI Key | BMJIRSBYZJOWGS-QRPNPIFTSA-N |
| MDL Number | MFCD28977503 |
| Molecular Formula | C9H11ClFNO3 |
| Molecular Weight | 235.6399 |
| SMILES | O=C(O)[C@@H](N)C1=CC=C(F)C(OC)=C1.[H]Cl |
| Synonyms | 1810074-58-8,
(S)-2-Amino-2-(4-fluoro-3-methoxyphenyl)acetic acid hydrochloride,
(2S)-2-Amino-2-(4-fluoro-3-methoxyphenyl)acetic acid-HCl,
KS-00000T1B,
MFCD28977503,
AKOS025395796,
GS-7259,
AX8297089,
(2S)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetic acid hydrochloride,
Benzeneacetic acid, alpha-amino-4-fluoro-3-methoxy-, hydrochloride (1:1), (alphaS)-,
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| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.639g/mol |
| Monoisotopic Mass | 235.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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