1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4-difluorobutane-1,3-dione - CAS 758709-42-1
Catalog: |
BB045517 |
Product Name: |
1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4-difluorobutane-1,3-dione |
CAS: |
758709-42-1 |
Synonyms: |
1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4-difluorobutane-1,3-dione |
IUPAC Name: | 1-(1,3-dimethylpyrazol-4-yl)-4,4-difluorobutane-1,3-dione |
Description: | 1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4-difluorobutane-1,3-dione (CAS# 758709-42-1 ) is a useful research chemical. |
Molecular Weight: | 216.18 |
Molecular Formula: | C9H10F2N2O2 |
Canonical SMILES: | CC1=NN(C=C1C(=O)CC(=O)C(F)F)C |
InChI: | InChI=1S/C9H10F2N2O2/c1-5-6(4-13(2)12-5)7(14)3-8(15)9(10)11/h4,9H,3H2,1-2H3 |
InChI Key: | LSJYQWHOOBBGSN-UHFFFAOYSA-N |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.07103389 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.07103389 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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