| CAS Number | 1018678-49-3 |
| Catalog Number | AG00H9NK |
| Chemical Name | 2-(Difluoromethyl)benzyl alcohol |
| IUPAC Name | [2-(difluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H8F2O/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8,11H,5H2 |
| InChI Key | XVOXXNDVURWTMO-UHFFFAOYSA-N |
| MDL Number | MFCD26728124 |
| Molecular Formula | C8H8F2O |
| Molecular Weight | 158.1453 |
| SMILES | c1ccc(c(c1)CO)C(F)F |
| Synonyms | (2-(difluoromethyl)phenyl)methanol,
1018678-49-3,
2-(Difluoromethyl)benzyl alcohol,
[2-(difluoromethyl)phenyl]methanol,
Benzenemethanol, 2-(difluoromethyl)-,
SCHEMBL1178546,
XVOXXNDVURWTMO-UHFFFAOYSA-N,
MFCD26728124,
ZINC97437900,
AKOS023600984,
CS-W000093,
FCH2476086,
PC48358,
PS-11752,
AX8270614,
|
| Complexity | 117 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.148g/mol |
| Monoisotopic Mass | 158.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number