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16860-57-4

16860-57-4 | 1H-Pyrazole, 5-(3-chlorophenyl)-1,3-diphenyl-

CAS No: 16860-57-4 Catalog No: AG001Y60 MDL No:

Product Description

Catalog Number:
AG001Y60
Chemical Name:
1H-Pyrazole, 5-(3-chlorophenyl)-1,3-diphenyl-
CAS Number:
16860-57-4
Molecular Formula:
C21H15ClN2
Molecular Weight:
330.8102
IUPAC Name:
5-(3-chlorophenyl)-1,3-diphenylpyrazole
InChI:
InChI=1S/C21H15ClN2/c22-18-11-7-10-17(14-18)21-15-20(16-8-3-1-4-9-16)23-24(21)19-12-5-2-6-13-19/h1-15H
InChI Key:
UQEUWWVCBPWZDR-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)c1cc(nn1c1ccccc1)c1ccccc1

Properties

Complexity:
389  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.092g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.815g/mol
Monoisotopic Mass:
330.092g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  

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