| CAS Number | 1309875-03-3 |
| Catalog Number | AG00HSB2(AGN-PC-0WQWZ3) |
| Chemical Name | [3-(difluoromethyl)phenyl]methanol |
| IUPAC Name | [3-(difluoromethyl)phenyl]methanol |
| InChI | InChI=1S/C8H8F2O/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2 |
| InChI Key | OSSWCETZVZILJJ-UHFFFAOYSA-N |
| MDL Number | MFCD19053257 |
| Molecular Formula | C8H8F2O |
| Molecular Weight | 158.1453 |
| SMILES | OCC1=CC(C(F)F)=CC=C1 |
| Synonyms | [3-(Difluoromethyl)phenyl]methanol,
1309875-03-3,
3-(DIFLUOROMETHYL)BENZYL ALCOHOL,
3-Difluoromethylbenzyl alcohol,
SCHEMBL9216952,
3-(Hydroxymethyl)benzal fluoride,
KS-00003RBU,
3-(Difluoromethyl)benzenemethanol,
DTXSID40705608,
MFCD19053257,
ZINC71790073,
AKOS017504486,
PS-8808,
alpha,alpha-Difluoro-3-(hydroxymethyl)toluene,
J3.617.195B,
K-4076,
Z2048193007,
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| 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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number