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88549-06-8 | 5,8-Methano-5H-imidazo[1,2-a]azepine-2,3-dicarbonitrile, 8,9-dihydro-
CAS No: 88549-06-8 Catalog No: AG004CQ9 MDL No:
Product Description
Catalog Number:
AG004CQ9
Chemical Name:
5,8-Methano-5H-imidazo[1,2-a]azepine-2,3-dicarbonitrile, 8,9-dihydro-
CAS Number:
88549-06-8
Molecular Formula:
C11H8N4
Molecular Weight:
196.2080
IUPAC Name:
2,5-diazatricyclo[6.2.1.02,6]undeca-3,5,9-triene-3,4-dicarbonitrile
InChI:
InChI=1S/C11H8N4/c12-5-9-10(6-13)15-8-2-1-7(3-8)4-11(15)14-9/h1-2,7-8H,3-4H2
InChI Key:
FNYPZVPTWQZWQI-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)nc2n1C1C=CC(C1)C2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.213g/mol
Monoisotopic Mass:
196.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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