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918960-13-1 | Benzonitrile, 3-(2-indolizinyl)-
CAS No: 918960-13-1 Catalog No: AG006A31 MDL No:
Product Description
Catalog Number:
AG006A31
Chemical Name:
Benzonitrile, 3-(2-indolizinyl)-
CAS Number:
918960-13-1
Molecular Formula:
C15H10N2
Molecular Weight:
218.2533
IUPAC Name:
3-indolizin-2-ylbenzonitrile
InChI:
InChI=1S/C15H10N2/c16-10-12-4-3-5-13(8-12)14-9-15-6-1-2-7-17(15)11-14/h1-9,11H
InChI Key:
ASDDRLLEDMRKMX-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1cc2n(c1)cccc2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.259g/mol
Monoisotopic Mass:
218.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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