| CAS Number | 180146-66-1 |
| Catalog Number | AG00BAJ8(AGN-PC-01YZ9W) |
| Chemical Name | [3-nitro-5-(trifluoromethyl)phenyl]methanol |
| IUPAC Name | [3-nitro-5-(trifluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H6F3NO3/c9-8(10,11)6-1-5(4-13)2-7(3-6)12(14)15/h1-3,13H,4H2 |
| InChI Key | WSIIHVBSVSJXMQ-UHFFFAOYSA-N |
| MDL Number | MFCD11040241 |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.1333 |
| SMILES | [N+](=O)([O-])C=1C=C(C=C(C1)C(F)(F)F)CO |
| Synonyms | 180146-66-1,
[3-nitro-5-(trifluoromethyl)phenyl]methanol,
(3-Nitro-5-(trifluoromethyl)phenyl)methanol,
SCHEMBL131155,
WSIIHVBSVSJXMQ-UHFFFAOYSA-N,
ZINC59673005,
5-trifluoromethyl-3-nitrobenzylalcohol,
3-Nitro-5-(trifluoromethyl)benzyl alcohol,
3-Nitro-5-(trifluoromethyl)phenyl methanol,
(3-nitro-5-trifluoromethyl-phenyl)-methanol,
(3-(Trifluoromethyl)-5-nitrophenyl)methanol,
Benzenemethanol, 3-nitro-5-(trifluoromethyl)-,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.029978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.13g/mol |
| Monoisotopic Mass | 221.029978g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number