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246-18-4 | 6H-Azepino[1,2-a]benzimidazole
CAS No: 246-18-4 Catalog No: AG002OPZ MDL No:
Product Description
Catalog Number:
AG002OPZ
Chemical Name:
6H-Azepino[1,2-a]benzimidazole
CAS Number:
246-18-4
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
IUPAC Name:
6H-azepino[1,2-a]benzimidazole
InChI:
InChI=1S/C12H10N2/c1-2-8-12-13-10-6-3-4-7-11(10)14(12)9-5-1/h1-7,9H,8H2
InChI Key:
OSCLAXDRBOHJGJ-UHFFFAOYSA-N
SMILES:
C1=CCc2n(C=C1)c1c(n2)cccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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