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88039-36-5 | 1H-Pyrazole, 4-bromo-1,3-bis(4-methylphenyl)-5-phenyl-
CAS No: 88039-36-5 Catalog No: AG004GFF MDL No:
Product Description
Catalog Number:
AG004GFF
Chemical Name:
1H-Pyrazole, 4-bromo-1,3-bis(4-methylphenyl)-5-phenyl-
CAS Number:
88039-36-5
Molecular Formula:
C23H19BrN2
Molecular Weight:
403.3144
IUPAC Name:
4-bromo-1,3-bis(4-methylphenyl)-5-phenylpyrazole
InChI:
InChI=1S/C23H19BrN2/c1-16-8-12-18(13-9-16)22-21(24)23(19-6-4-3-5-7-19)26(25-22)20-14-10-17(2)11-15-20/h3-15H,1-2H3
InChI Key:
SCDRHMATDGGWKJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nn(c(c1Br)c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.073g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.323g/mol
Monoisotopic Mass:
402.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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