Name: Name:1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG019TY5
Rating: 90 (10 reviews)

1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1156433-10-1

Catalog Number:

AG019TY5

Molecular Formula:

C13H13ClN2O2

Molecular Weight:

264.7075

Catalog Number:

AG019TY5

Chemical Name:

1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1156433-10-1

Molecular Formula:

C13H13ClN2O2

Molecular Weight:

264.7075

MDL Number:

MFCD12641461

IUPAC Name:

1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C13H13ClN2O2/c1-8-12(13(17)18)9(2)16(15-8)7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,17,18)

InChI Key:

FCIMHJZZFLTNTL-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)Cn1nc(c(c1C)C(=O)O)C

Complexity:

305

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.709g/mol

Monoisotopic Mass:

264.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8