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208124-25-8 | 4H-1,2,4-Triazole, 3,5-bis(4-bromophenyl)-4-phenyl-
CAS No: 208124-25-8 Catalog No: AG002JI0 MDL No:
Product Description
Catalog Number:
AG002JI0
Chemical Name:
4H-1,2,4-Triazole, 3,5-bis(4-bromophenyl)-4-phenyl-
CAS Number:
208124-25-8
Molecular Formula:
C20H13Br2N3
Molecular Weight:
455.1453
IUPAC Name:
3,5-bis(4-bromophenyl)-4-phenyl-1,2,4-triazole
InChI:
InChI=1S/C20H13Br2N3/c21-16-10-6-14(7-11-16)19-23-24-20(15-8-12-17(22)13-9-15)25(19)18-4-2-1-3-5-18/h1-13H
InChI Key:
JXFRRTNQFRGVJQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1nnc(n1c1ccccc1)c1ccc(cc1)Br
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.946g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
455.153g/mol
Monoisotopic Mass:
452.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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