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114456-85-8 | 1H-Pyrazole, 5-(2,4-dichlorophenyl)-4,5-dihydro-1,3-diphenyl-
CAS No: 114456-85-8 Catalog No: AG000EFB MDL No:
Product Description
Catalog Number:
AG000EFB
Chemical Name:
1H-Pyrazole, 5-(2,4-dichlorophenyl)-4,5-dihydro-1,3-diphenyl-
CAS Number:
114456-85-8
Molecular Formula:
C21H16Cl2N2
Molecular Weight:
367.2711
IUPAC Name:
3-(2,4-dichlorophenyl)-2,5-diphenyl-3,4-dihydropyrazole
InChI:
InChI=1S/C21H16Cl2N2/c22-16-11-12-18(19(23)13-16)21-14-20(15-7-3-1-4-8-15)24-25(21)17-9-5-2-6-10-17/h1-13,21H,14H2
InChI Key:
NLPXIMXVUDOTIT-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C1CC(=NN1c1ccccc1)c1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.069g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.273g/mol
Monoisotopic Mass:
366.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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