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19566-02-0 | 7H-Imidazo[4,5-e][1,2,3]benzothiadiazole
CAS No: 19566-02-0 Catalog No: AG00747N MDL No:
Product Description
Catalog Number:
AG00747N
Chemical Name:
7H-Imidazo[4,5-e][1,2,3]benzothiadiazole
CAS Number:
19566-02-0
Molecular Formula:
C7H4N4S
Molecular Weight:
176.1985
IUPAC Name:
7H-imidazo[4,5-e][1,2,3]benzothiadiazole
InChI:
InChI=1S/C7H4N4S/c1-2-5-7(10-11-12-5)6-4(1)8-3-9-6/h1-2H,3H2
InChI Key:
YMOBXKDUPMAZIA-UHFFFAOYSA-N
SMILES:
C1N=c2c(=N1)c1nnsc1cc2
Properties
Complexity:
307
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:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.197g/mol
Monoisotopic Mass:
176.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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