1-(2,2-Difluoroethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid - CAS 1006462-23-2
Catalog: |
BB047485 |
Product Name: |
1-(2,2-Difluoroethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid |
CAS: |
1006462-23-2 |
Synonyms: |
1-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid |
IUPAC Name: | 2-(2,2-difluoroethyl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid |
Description: | 1-(2,2-Difluoroethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid (CAS# 1006462-23-2 ) is a useful research chemical. |
Molecular Weight: | 244.12 |
Molecular Formula: | C7H5F5N2O2 |
Canonical SMILES: | C1=C(N(N=C1C(F)(F)F)CC(F)F)C(=O)O |
InChI: | InChI=1S/C7H5F5N2O2/c8-5(9)2-14-3(6(15)16)1-4(13-14)7(10,11)12/h1,5H,2H2,(H,15,16) |
InChI Key: | GKWRSEBOHQHGNA-UHFFFAOYSA-N |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.02711822 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.02711822 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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