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867349-78-8 | Benzonitrile, 4,4'-(2,1,3-benzothiadiazole-4,7-diyl)bis-
CAS No: 867349-78-8 Catalog No: AG004NBF MDL No:
Product Description
Catalog Number:
AG004NBF
Chemical Name:
Benzonitrile, 4,4'-(2,1,3-benzothiadiazole-4,7-diyl)bis-
CAS Number:
867349-78-8
Molecular Formula:
C20H10N4S
Molecular Weight:
338.3852
IUPAC Name:
4-[4-(4-cyanophenyl)-2,1,3-benzothiadiazol-7-yl]benzonitrile
InChI:
InChI=1S/C20H10N4S/c21-11-13-1-5-15(6-2-13)17-9-10-18(20-19(17)23-25-24-20)16-7-3-14(12-22)4-8-16/h1-10H
InChI Key:
LLTZHMPIBNBPDK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(c2c1nsn2)c1ccc(cc1)C#N
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.063g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.388g/mol
Monoisotopic Mass:
338.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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