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235-83-6 | 6,9-Methano-6H-azepino[1,2-a]benzimidazole
CAS No: 235-83-6 Catalog No: AG002NEV MDL No:
Product Description
Catalog Number:
AG002NEV
Chemical Name:
6,9-Methano-6H-azepino[1,2-a]benzimidazole
CAS Number:
235-83-6
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
IUPAC Name:
3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8,11,13-hexaene
InChI:
InChI=1S/C13H10N2/c1-2-4-12-11(3-1)14-13-10-6-5-9(7-10)8-15(12)13/h1-6,8,10H,7H2
InChI Key:
CYGOZAJEHXHPKR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1C=C3C=CC(c1n2)C3
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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