| CAS Number | 1810074-77-1 |
| Catalog Number | AG0022LO(AGN-PC-0WAMAE) |
| Chemical Name | (2S)-2-Amino-2-(2,5-difluorophenyl)ethan-1-ol hcl |
| IUPAC Name | (2S)-2-amino-2-(2,5-difluorophenyl)ethanol;hydrochloride |
| InChI | InChI=1S/C8H9F2NO.ClH/c9-5-1-2-7(10)6(3-5)8(11)4-12;/h1-3,8,12H,4,11H2;1H/t8-;/m1./s1 |
| InChI Key | ZSITZKWTMIGQEY-DDWIOCJRSA-N |
| MDL Number | MFCD24412751 |
| Molecular Formula | C8H10ClF2NO |
| Molecular Weight | 209.6209 |
| SMILES | FC1=CC=C(F)C([C@H](N)CO)=C1.[H]Cl |
| Synonyms | 1810074-77-1,
(S)-2-Amino-2-(2,5-difluorophenyl)ethanol hydrochloride,
(2S)-2-amino-2-(2,5-difluorophenyl)ethan-1-ol hydrochloride,
(2S)-2-amino-2-(2,5-difluorophenyl)ethan-1-ol hcl,
AK172746,
MFCD24412751,
AKOS025395786,
GS-7267,
KS-00000T15,
AX8297102,
Benzeneethanol, beta-amino-2,5-difluoro-, hydrochloride (1:1), (betaS)-,
1213696-91-3,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.621g/mol |
| Monoisotopic Mass | 209.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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