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77925-15-6 | 1,4-Epithiopyrido[1,2-a]benzimidazole(9CI)
CAS No: 77925-15-6 Catalog No: AG008O2C MDL No:MFCD18806285
Product Description
Catalog Number:
AG008O2C
Chemical Name:
1,4-Epithiopyrido[1,2-a]benzimidazole(9CI)
CAS Number:
77925-15-6
Molecular Formula:
C11H6N2S
Molecular Weight:
198.2437
MDL Number:
MFCD18806285
IUPAC Name:
14-thia-2,9-diazatetracyclo[9.2.1.02,10.03,8]tetradeca-1(13),3,5,7,9,11-hexaene
InChI:
InChI=1S/C11H6N2S/c1-2-4-8-7(3-1)12-11-9-5-6-10(14-9)13(8)11/h1-6H
InChI Key:
KVKAHKZOIPGCPP-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1c3ccc(c1n2)s3
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.243g/mol
Monoisotopic Mass:
198.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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