Name: Name:1H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-
Brand: Angene
SKU: AG000RQA
Rating: 90 (10 reviews)

1H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-

CAS No.:

126129-22-4

Catalog Number:

AG000RQA

Molecular Formula:

C11H9ClN2O2

Molecular Weight:

236.6544

Catalog Number:

AG000RQA

Chemical Name:

1H-Pyrazole-3-carboxylic acid, 1-(4-chlorophenyl)-5-methyl-

CAS Number:

126129-22-4

Molecular Formula:

C11H9ClN2O2

Molecular Weight:

236.6544

MDL Number:

MFCD08443791

IUPAC Name:

1-(4-chlorophenyl)-5-methylpyrazole-3-carboxylic acid

InChI:

InChI=1S/C11H9ClN2O2/c1-7-6-10(11(15)16)13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)

InChI Key:

GXRKKZGRDQQESI-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)n1nc(cc1C)C(=O)O

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

236.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

236.655g/mol

Monoisotopic Mass:

236.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8