Home Other Building Blocks 3-(5-phenyl-1H-pyrazol-1-yl)benzoic acid

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

CAS No.:
926240-48-4
Catalog Number:
AG019XGW
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
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Product Description
Catalog Number:
AG019XGW
Chemical Name:
3-(5-phenyl-1H-pyrazol-1-yl)benzoic acid
CAS Number:
926240-48-4
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
MDL Number:
MFCD09045564
IUPAC Name:
3-(5-phenylpyrazol-1-yl)benzoic acid
InChI:
InChI=1S/C16H12N2O2/c19-16(20)13-7-4-8-14(11-13)18-15(9-10-17-18)12-5-2-1-3-6-12/h1-11H,(H,19,20)
InChI Key:
ARKQQGPFJSPSCA-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1nccc1c1ccccc1
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties