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1224879-11-1 | 1H-Pyrazole-3-carboxylic acid, 5-phenyl-4-(2-phenyldiazenyl)-, ethyl ester
CAS No: 1224879-11-1 Catalog No: AG0017AG MDL No:
Product Description
Catalog Number:
AG0017AG
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-phenyl-4-(2-phenyldiazenyl)-, ethyl ester
CAS Number:
1224879-11-1
Molecular Formula:
C18H16N4O2
Molecular Weight:
320.3452
IUPAC Name:
ethyl 3-phenyl-4-phenyldiazenyl-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C18H16N4O2/c1-2-24-18(23)17-16(21-19-14-11-7-4-8-12-14)15(20-22-17)13-9-5-3-6-10-13/h3-12H,2H2,1H3,(H,20,22)
InChI Key:
LMBCECQLQUPVRF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1N=Nc1ccccc1)c1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.352g/mol
Monoisotopic Mass:
320.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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