Name: Name:[4-Chloro-3-(difluoromethyl)-5-methyl-1h-pyrazol-1-yl]acetic acid
Brand: Angene
SKU: AG00DQCJ
Rating: 90 (10 reviews)

[4-Chloro-3-(difluoromethyl)-5-methyl-1h-pyrazol-1-yl]acetic acid

CAS No.:

512809-57-3

Catalog Number:

AG00DQCJ

Molecular Formula:

C7H7ClF2N2O2

Molecular Weight:

224.5925

Catalog Number:

AG00DQCJ

Chemical Name:

[4-Chloro-3-(difluoromethyl)-5-methyl-1h-pyrazol-1-yl]acetic acid

CAS Number:

512809-57-3

Molecular Formula:

C7H7ClF2N2O2

Molecular Weight:

224.5925

MDL Number:

MFCD03419334

IUPAC Name:

2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetic acid

InChI:

InChI=1S/C7H7ClF2N2O2/c1-3-5(8)6(7(9)10)11-12(3)2-4(13)14/h7H,2H2,1H3,(H,13,14)

InChI Key:

PIZCTIAZNNVZBR-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1nc(c(c1C)Cl)C(F)F

Complexity:

230

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.592g/mol

Monoisotopic Mass:

224.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6