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246-20-8 | 3H-[1,4]Diazepino[1,2-a]benzimidazole
CAS No: 246-20-8 Catalog No: AG002OPX MDL No:
Product Description
Catalog Number:
AG002OPX
Chemical Name:
3H-[1,4]Diazepino[1,2-a]benzimidazole
CAS Number:
246-20-8
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
IUPAC Name:
3H-[1,4]diazepino[1,2-a]benzimidazole
InChI:
InChI=1S/C11H9N3/c1-2-5-10-9(4-1)13-11-8-12-6-3-7-14(10)11/h1-5,7-8H,6H2
InChI Key:
YFAGAZPWGUEYFQ-UHFFFAOYSA-N
SMILES:
C1N=Cc2n(C=C1)c1c(n2)cccc1
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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