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42341-43-5 | 1H-Imidazo[4,5-e]-2,1,3-benzothiadiazole(9CI)
CAS No: 42341-43-5 Catalog No: AG00CXA4 MDL No:
Product Description
Catalog Number:
AG00CXA4
Chemical Name:
1H-Imidazo[4,5-e]-2,1,3-benzothiadiazole(9CI)
CAS Number:
42341-43-5
IUPAC Name:
3H-imidazo[4,5-e][2,1,3]benzothiadiazole
InChI:
InChI=1S/C7H4N4S/c1-2-5-7(11-12-10-5)6-4(1)8-3-9-6/h1-3,10H
InChI Key:
TVGLOAYFAFOFPC-UHFFFAOYSA-N
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.197g/mol
Monoisotopic Mass:
176.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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