1-(1,3-Dimethyl-1H-pyrazol-4-yl)-2,2-difluoroethanol - CAS 1245771-85-0
Catalog: |
BB051583 |
Product Name: |
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-2,2-difluoroethanol |
CAS: |
1245771-85-0 |
Synonyms: |
1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethan-1-ol |
IUPAC Name: | 1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol |
Molecular Weight: | 176.16 |
Molecular Formula: | C7H10F2N2O |
Canonical SMILES: | CC1=NN(C=C1C(C(F)F)O)C |
InChI: | InChI=1S/C7H10F2N2O/c1-4-5(3-11(2)10-4)6(12)7(8)9/h3,6-7,12H,1-2H3 |
InChI Key: | BZGHZDKZMZCECO-UHFFFAOYSA-N |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.07611927 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.07611927 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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