| CAS Number | 1245772-78-4 |
| Catalog Number | AG019CT9(AGN-PC-0WBD2S) |
| Chemical Name | (1-(Difluoromethyl)-1H-pyrazol-3-yl)methanol |
| IUPAC Name | [1-(difluoromethyl)pyrazol-3-yl]methanol |
| InChI | InChI=1S/C5H6F2N2O/c6-5(7)9-2-1-4(3-10)8-9/h1-2,5,10H,3H2 |
| InChI Key | QHNSEQWCTMDSMV-UHFFFAOYSA-N |
| MDL Number | MFCD15976742 |
| Molecular Formula | C5H6F2N2O |
| Molecular Weight | 148.1107 |
| SMILES | OCC1=NN(C(F)F)C=C1 |
| Synonyms | 1245772-78-4,
[1-(difluoromethyl)-1H-pyrazol-3-yl]methanol,
(1-(Difluoromethyl)-1H-pyrazol-3-yl)methanol,
[1-(difluoromethyl)pyrazol-3-yl]methan-1-ol,
MFCD15976742,
SBB073445,
ZINC72209438,
AKOS005169602,
MCULE-9724882171,
[1-(difluoromethyl)pyrazol-3-yl]methanol,
ST45255777,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.113g/mol |
| Monoisotopic Mass | 148.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
Lot Number