| CAS Number | 872574-40-8 |
| Catalog Number | AG01B6WP(AGN-PC-0VBM83) |
| Chemical Name | Benzeneethanol, b-amino-2,4-difluoro- |
| IUPAC Name | 2-amino-2-(2,4-difluorophenyl)ethanol |
| InChI | InChI=1S/C8H9F2NO/c9-5-1-2-6(7(10)3-5)8(11)4-12/h1-3,8,12H,4,11H2 |
| InChI Key | QILCOZXXFOLWRN-UHFFFAOYSA-N |
| MDL Number | MFCD11213676 |
| Molecular Formula | C8H9F2NO |
| Molecular Weight | 173.1600 |
| SMILES | NC(CO)C1=C(C=C(C=C1)F)F |
| Synonyms | 872574-40-8,
2-AMINO-2-(2,4-DIFLUOROPHENYL)ETHAN-1-OL,
2-amino-2-(2,4-difluorophenyl)ethanol,
(S)-2-Amino-2-(2,4-difluorophenyl)ethan-1-ol,
1-(2,4-difluoro-phenyl)-2-hydroxy-ethylamine,
SCHEMBL4876509,
QILCOZXXFOLWRN-UHFFFAOYSA-N,
1213130-66-5,
MFCD11213676,
AKOS005265069,
Benzeneethanol, beta-amino-2,4-difluoro-,
SC-50527,
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| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.163g/mol |
| Monoisotopic Mass | 173.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number