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41770-77-8 | 2H-AZEPINO[1,2-A]BENZO[D]IMIDAZOLE
CAS No: 41770-77-8 Catalog No: AG0075D6 MDL No:
Product Description
Catalog Number:
AG0075D6
Chemical Name:
2H-AZEPINO[1,2-A]BENZO[D]IMIDAZOLE
CAS Number:
41770-77-8
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
IUPAC Name:
2H-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/h1-3,5-9H,4H2
InChI Key:
NTDFWLXHFOZIQH-UHFFFAOYSA-N
SMILES:
c1ccn2c(cc1)nc1c2=CCC=C1
Properties
Complexity:
445
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:
2
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:
15.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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