| CAS Number | 1810074-79-3 |
| Catalog Number | AG0022LM(AGN-PC-0WANDJ) |
| Chemical Name | Benzeneethanol, β-amino-4-chloro-3-(trifluoromethyl)-, hydrochloride (1:1), (βS)- |
| IUPAC Name | (2S)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride |
| InChI | InChI=1S/C9H9ClF3NO.ClH/c10-7-2-1-5(8(14)4-15)3-6(7)9(11,12)13;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1 |
| InChI Key | XPQKDXIKGYSXEY-DDWIOCJRSA-N |
| MDL Number | MFCD12758208 |
| Molecular Formula | C9H10Cl2F3NO |
| Molecular Weight | 276.0830 |
| SMILES | FC(C1=CC([C@H](N)CO)=CC=C1Cl)(F)F.Cl |
| Synonyms | 1810074-79-3,
(S)-2-Amino-2-(4-chloro-3-(trifluoromethyl)phenyl)ethanol hydrochloride,
(2S)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethan-1-ol HCl,
(2S)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethan-1-ol hydrochloride,
KS-00000SAU,
KS-000026EZ,
MFCD12758208,
AKOS024258694,
GS-7274,
AX8279373,
W-3711,
Benzeneethanol, beta-amino-4-chloro-3-(trifluoromethyl)-, hydrochloride (1:1), (betaS)-,
1213059-76-7,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.08g/mol |
| Monoisotopic Mass | 275.009g/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
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number