Home Carboxys 3-(2,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

3-(2,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid

CAS No.:
956386-17-7
Catalog Number:
AG00IJA1
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
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Product Description
Catalog Number:
AG00IJA1
Chemical Name:
3-(2,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS Number:
956386-17-7
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
MDL Number:
MFCD06357834
IUPAC Name:
3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C18H16N2O2/c1-12-8-9-15(13(2)10-12)17-16(18(21)22)11-20(19-17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,21,22)
InChI Key:
NYNBUAHSMOBRQL-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)c1nn(cc1C(=O)O)c1ccccc1
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties