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287976-96-9 | 2,1,3-Benzothiadiazole, 4,7-diphenyl-
CAS No: 287976-96-9 Catalog No: AG002WJ2 MDL No:
Product Description
Catalog Number:
AG002WJ2
Chemical Name:
2,1,3-Benzothiadiazole, 4,7-diphenyl-
CAS Number:
287976-96-9
Molecular Formula:
C18H12N2S
Molecular Weight:
288.3663
IUPAC Name:
4,7-diphenyl-2,1,3-benzothiadiazole
InChI:
InChI=1S/C18H12N2S/c1-3-7-13(8-4-1)15-11-12-16(14-9-5-2-6-10-14)18-17(15)19-21-20-18/h1-12H
InChI Key:
BFTONFBWVCVMTD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(c2c1nsn2)c1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.368g/mol
Monoisotopic Mass:
288.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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