Name: Name:5-(chlorodifluoromethyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019RXQ
Rating: 90 (10 reviews)

5-(chlorodifluoromethyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1394042-14-8

Catalog Number:

AG019RXQ

Molecular Formula:

C8H9ClF2N2O2

Molecular Weight:

238.6191

Catalog Number:

AG019RXQ

Chemical Name:

5-(chlorodifluoromethyl)-1-ethyl-3-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1394042-14-8

Molecular Formula:

C8H9ClF2N2O2

Molecular Weight:

238.6191

MDL Number:

MFCD22375434

IUPAC Name:

5-[chloro(difluoro)methyl]-1-ethyl-3-methylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H9ClF2N2O2/c1-3-13-6(8(9,10)11)5(7(14)15)4(2)12-13/h3H2,1-2H3,(H,14,15)

InChI Key:

WJGIVDKQPRNGEU-UHFFFAOYSA-N

SMILES:

CCn1nc(c(c1C(Cl)(F)F)C(=O)O)C

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.032g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

238.619g/mol

Monoisotopic Mass:

238.032g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6