Home Carboxys 1-Benzyl-5-phenyl-1H-pyrazole-4-carboxylic Acid

1-Benzyl-5-phenyl-1H-pyrazole-4-carboxylic Acid

CAS No.:
905590-04-7
Catalog Number:
AG01EN09
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01EN09
Chemical Name:
1-Benzyl-5-phenyl-1H-pyrazole-4-carboxylic Acid
CAS Number:
905590-04-7
MDL Number:
MFCD14462017
IUPAC Name:
1-benzyl-5-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C17H14N2O2/c20-17(21)15-11-18-19(12-13-7-3-1-4-8-13)16(15)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)
InChI Key:
NASTYGSNQOILSK-UHFFFAOYSA-N
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties