| CAS Number | 17556-38-6 |
| Catalog Number | AG00211F(AGN-PC-0QARQ3) |
| Chemical Name | Benzenemethanol, 3-amino-α-(trifluoromethyl)- |
| IUPAC Name | 1-(3-aminophenyl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C8H8F3NO/c9-8(10,11)7(13)5-2-1-3-6(12)4-5/h1-4,7,13H,12H2 |
| InChI Key | VKCAHWLBIDYPNC-UHFFFAOYSA-N |
| MDL Number | MFCD20700421 |
| Molecular Formula | C8H8F3NO |
| Molecular Weight | 191.1504 |
| SMILES | OC(C1=CC=CC(N)=C1)C(F)(F)F |
| Synonyms | 17556-38-6,
1-(3-aminophenyl)-2,2,2-trifluoroethan-1-ol,
1-(3-aminophenyl)-2,2,2-trifluoroethanol,
Benzenemethanol, 3-amino-alpha-(trifluoromethyl)-,
SCHEMBL4282395,
VKCAHWLBIDYPNC-UHFFFAOYSA-N,
AKOS000278606,
FCH1281830,
ACM17556386,
3-Amino-alpha-(trifluoromethyl)benzenemethanol,
AU-059/43515451,
Benzenemethanol, 3-amino-a-(trifluoromethyl)-,
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| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.153g/mol |
| Monoisotopic Mass | 191.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number