| CAS Number | 1416372-95-6 |
| Catalog Number | AG00HW4S(AGN-PC-0WR3UP) |
| Chemical Name | (4-Amino-3-(trifluoromethyl)phenyl)methanol |
| IUPAC Name | [4-amino-3-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H8F3NO/c9-8(10,11)6-3-5(4-13)1-2-7(6)12/h1-3,13H,4,12H2 |
| InChI Key | LCUQUDVBZZCGNQ-UHFFFAOYSA-N |
| MDL Number | MFCD21603964 |
| Molecular Formula | C8H8F3NO |
| Molecular Weight | 191.1504 |
| SMILES | OCC1=CC=C(N)C(C(F)(F)F)=C1 |
| Synonyms | (4-Amino-3-(trifluoromethyl)phenyl)methanol,
1416372-95-6,
MFCD21603964,
ZINC95932034,
AS-54727,
AJ-137394,
|
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number