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7189-12-0 | 1H-Pyrazole-4-carboxylic acid, 1,3,5-triphenyl-, ethyl ester
CAS No: 7189-12-0 Catalog No: AG005FBM MDL No:
Product Description
Catalog Number:
AG005FBM
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1,3,5-triphenyl-, ethyl ester
CAS Number:
7189-12-0
Molecular Formula:
C24H20N2O2
Molecular Weight:
368.4278
IUPAC Name:
ethyl 1,3,5-triphenylpyrazole-4-carboxylate
InChI:
InChI=1S/C24H20N2O2/c1-2-28-24(27)21-22(18-12-6-3-7-13-18)25-26(20-16-10-5-11-17-20)23(21)19-14-8-4-9-15-19/h3-17H,2H2,1H3
InChI Key:
LQDKEWNOBPWRAV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(nn(c1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.152g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.436g/mol
Monoisotopic Mass:
368.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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