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220927-13-9 | 4H-[1,5]Oxazocino[5,4-a]benzimidazole(9CI)
CAS No: 220927-13-9 Catalog No: AG0070C5 MDL No:
Product Description
Catalog Number:
AG0070C5
Chemical Name:
4H-[1,5]Oxazocino[5,4-a]benzimidazole(9CI)
CAS Number:
220927-13-9
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
(1Z,5Z)-4H-[1,5]oxazocino[5,4-a]benzimidazole
InChI:
InChI=1S/C12H10N2O/c1-2-5-11-10(4-1)13-12-6-9-15-8-3-7-14(11)12/h1-7,9H,8H2/b7-3-,9-6-
InChI Key:
RJOTUXGUVOYSCN-HLBGEZEASA-N
SMILES:
C1OC=Cc2n(C=C1)c1ccccc1n2
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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