Name: Name:2-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
Brand: Angene
SKU: AG019UU8
Rating: 90 (10 reviews)

2-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS No.:

32701-92-1

Catalog Number:

AG019UU8

Molecular Formula:

C13H13ClN2O2

Molecular Weight:

264.7075

Catalog Number:

AG019UU8

Chemical Name:

2-[1-(4-chlorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid

CAS Number:

32701-92-1

Molecular Formula:

C13H13ClN2O2

Molecular Weight:

264.7075

MDL Number:

MFCD09046049

IUPAC Name:

2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid

InChI:

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

InChI Key:

QWSDNLVYBMNSEJ-UHFFFAOYSA-N

SMILES:

OC(=O)Cc1c(C)nn(c1C)c1ccc(cc1)Cl

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