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Home > Nitro Compounds > 89547-08-0
89547-08-0 | 1,3,4-Thiadiazole, 2,3-dihydro-3-(4-nitrophenyl)-2,2-diphenyl-
CAS No: 89547-08-0 Catalog No: AG003YKY MDL No:
Product Description
Catalog Number:
AG003YKY
Chemical Name:
1,3,4-Thiadiazole, 2,3-dihydro-3-(4-nitrophenyl)-2,2-diphenyl-
CAS Number:
89547-08-0
Molecular Formula:
C20H15N3O2S
Molecular Weight:
361.4170
IUPAC Name:
3-(4-nitrophenyl)-2,2-diphenyl-1,3,4-thiadiazole
InChI:
InChI=1S/C20H15N3O2S/c24-23(25)19-13-11-18(12-14-19)22-20(26-15-21-22,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15H
InChI Key:
WZGMNDHSPAFZQW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)N1N=CSC1(c1ccccc1)c1ccccc1
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.088g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.419g/mol
Monoisotopic Mass:
361.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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