Name: Name:5-(chlorodifluoromethyl)-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019RXR
Rating: 90 (10 reviews)

5-(chlorodifluoromethyl)-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1384427-30-8

Catalog Number:

AG019RXR

Molecular Formula:

C8H9ClF2N2O3

Molecular Weight:

254.6185

Catalog Number:

AG019RXR

Chemical Name:

5-(chlorodifluoromethyl)-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1384427-30-8

Molecular Formula:

C8H9ClF2N2O3

Molecular Weight:

254.6185

MDL Number:

MFCD22370001

IUPAC Name:

5-[chloro(difluoro)methyl]-1-(2-hydroxyethyl)-3-methylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C8H9ClF2N2O3/c1-4-5(7(15)16)6(8(9,10)11)13(12-4)2-3-14/h14H,2-3H2,1H3,(H,15,16)

InChI Key:

JWAHWBGWQJTYSA-UHFFFAOYSA-N

SMILES:

OCCn1nc(c(c1C(Cl)(F)F)C(=O)O)C

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.027g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.618g/mol

Monoisotopic Mass:

254.027g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6