4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylic acid - CAS 1006462-05-0
Catalog: |
BB047481 |
Product Name: |
4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylic acid |
CAS: |
1006462-05-0 |
Synonyms: |
4-BROMO-1-(2,2-DIFLUOROETHYL)-1H-PYRAZOLE-3-CARBOXYLICACID |
IUPAC Name: | 4-bromo-1-(2,2-difluoroethyl)pyrazole-3-carboxylic acid |
Description: | 4-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylic acid (CAS# 1006462-05-0 ) is a useful research chemical. |
Molecular Weight: | 255.02 |
Molecular Formula: | C6H5BrF2N2O2 |
Canonical SMILES: | C1=C(C(=NN1CC(F)F)C(=O)O)Br |
InChI: | InChI=1S/C6H5BrF2N2O2/c7-3-1-11(2-4(8)9)10-5(3)6(12)13/h1,4H,2H2,(H,12,13) |
InChI Key: | YMJSHIWSUSFGBI-UHFFFAOYSA-N |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.95025 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.95025 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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