| CAS Number | 1227511-82-1 |
| Catalog Number | AG01FGV3(AGN-PC-3H4AKM) |
| Chemical Name | 2-Nitro-3-(trifluoromethyl)benzyl alcohol |
| IUPAC Name | [2-nitro-3-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H6F3NO3/c9-8(10,11)6-3-1-2-5(4-13)7(6)12(14)15/h1-3,13H,4H2 |
| InChI Key | AANGBUMPGPSFDG-UHFFFAOYSA-N |
| MDL Number | MFCD16606346 |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.1333 |
| SMILES | OCc1cccc(c1[N+](=O)[O-])C(F)(F)F |
| Synonyms | 2-Nitro-3-(trifluoromethyl)benzyl alcohol,
1227511-82-1,
(2-Nitro-3-(trifluoromethyl)phenyl)methanol,
MFCD16606346,
ZINC169801716,
PC500800,
PS-10458,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.135g/mol |
| Monoisotopic Mass | 221.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number