| CAS Number | 731002-49-6 |
| Catalog Number | AG01AD5L(AGN-PC-09RZ0F) |
| Chemical Name | 5-Hydroxy-2-(trifluoromethyl)benzonitrile |
| IUPAC Name | 5-hydroxy-2-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C8H4F3NO/c9-8(10,11)7-2-1-6(13)3-5(7)4-12/h1-3,13H |
| InChI Key | SEJXZAMRJHXMIT-UHFFFAOYSA-N |
| MDL Number | MFCD15146826 |
| Molecular Formula | C8H4F3NO |
| Molecular Weight | 187.1187 |
| SMILES | OC1=CC(C#N)=C(C(F)(F)F)C=C1 |
| Synonyms | 5-HYDROXY-2-(TRIFLUOROMETHYL)BENZONITRILE,
731002-49-6,
ZINC44830618,
AKOS017515978,
MB14729,
NE47574,
2-(Trifluoromethyl)-5-hydroxybenzonitrile,
Z1913661006,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.121g/mol |
| Monoisotopic Mass | 187.024g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number