Name: Name:1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01AO9P
Rating: 90 (10 reviews)

1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1006486-66-3

Catalog Number:

AG01AO9P

Molecular Formula:

C7H8F2N2O2

Molecular Weight:

190.1474

Catalog Number:

AG01AO9P

Chemical Name:

1-(2,2-difluoroethyl)-3-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1006486-66-3

Molecular Formula:

C7H8F2N2O2

Molecular Weight:

190.1474

MDL Number:

MFCD08696535

IUPAC Name:

1-(2,2-difluoroethyl)-3-methylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C7H8F2N2O2/c1-4-5(7(12)13)2-11(10-4)3-6(8)9/h2,6H,3H2,1H3,(H,12,13)

InChI Key:

QKFOCVIKVFMEFR-UHFFFAOYSA-N

SMILES:

FC(Cn1nc(c(c1)C(=O)O)C)F

Complexity:

201

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.15g/mol

Monoisotopic Mass:

190.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9