| CAS Number | 401-86-5 |
| Catalog Number | AG01BDV0(AGN-PC-001B0F) |
| Chemical Name | 3-Amino-5-(Trifluoromethyl)Phenol |
| IUPAC Name | 3-amino-5-(trifluoromethyl)phenol |
| InChI | InChI=1S/C7H6F3NO/c8-7(9,10)4-1-5(11)3-6(12)2-4/h1-3,12H,11H2 |
| InChI Key | ZXFYLYRXLSAJEU-UHFFFAOYSA-N |
| MDL Number | MFCD11036306 |
| Molecular Formula | C7H6F3NO |
| Molecular Weight | 177.1238 |
| SMILES | NC=1C=C(C=C(C1)C(F)(F)F)O |
| Synonyms | 3-AMINO-5-(TRIFLUOROMETHYL)PHENOL,
401-86-5,
SCHEMBL1265058,
3-Amino-5-trifluoromethylphenol,
3-Amino-5-trifluoromethyl-phenol,
ZXFYLYRXLSAJEU-UHFFFAOYSA-N,
3-(Trifluoromethyl)-5-aminophenol,
ZINC34288576,
AKOS006309117,
MB09041,
Phenol, 3-amino-5-(trifluoromethyl)-,
3-HYDROXY-5-(TRIFLUOROMETHYL)ANILINE,
J3.609.248C,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.040148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.12g/mol |
| Monoisotopic Mass | 177.040148g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number