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16860-56-3 | 1H-Pyrazole, 5-(4-bromophenyl)-1,3-diphenyl-
CAS No: 16860-56-3 Catalog No: AG001Y61 MDL No:
Product Description
Catalog Number:
AG001Y61
Chemical Name:
1H-Pyrazole, 5-(4-bromophenyl)-1,3-diphenyl-
CAS Number:
16860-56-3
Molecular Formula:
C21H15BrN2
Molecular Weight:
375.2612
IUPAC Name:
5-(4-bromophenyl)-1,3-diphenylpyrazole
InChI:
InChI=1S/C21H15BrN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-15H
InChI Key:
DMLXPQUGDNOKAV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1cc(nn1c1ccccc1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.042g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.269g/mol
Monoisotopic Mass:
374.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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