Name: Name:4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzoic acid
Brand: Angene
SKU: AG01B2EN
Rating: 90 (10 reviews)

4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzoic acid

CAS No.:

93323-55-8

Catalog Number:

AG01B2EN

Molecular Formula:

C17H14N2O2

Molecular Weight:

278.3053

Catalog Number:

AG01B2EN

Chemical Name:

4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzoic acid

CAS Number:

93323-55-8

Molecular Formula:

C17H14N2O2

Molecular Weight:

278.3053

MDL Number:

MFCD06742763

IUPAC Name:

4-(3-methyl-5-phenylpyrazol-1-yl)benzoic acid

InChI:

InChI=1S/C17H14N2O2/c1-12-11-16(13-5-3-2-4-6-13)19(18-12)15-9-7-14(8-10-15)17(20)21/h2-11H,1H3,(H,20,21)

InChI Key:

TYEFETXBOCYRFT-UHFFFAOYSA-N

SMILES:

Cc1nn(c(c1)c1ccccc1)c1ccc(cc1)C(=O)O

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.106g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.311g/mol

Monoisotopic Mass:

278.106g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5