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Home > Indoles and Oxindole > 112513-69-6
112513-69-6 | 2H-Isoindole-1-carbonitrile, 2-(2-pyridinyl)-
CAS No: 112513-69-6 Catalog No: AG0082DR MDL No:
Product Description
Catalog Number:
AG0082DR
Chemical Name:
2H-Isoindole-1-carbonitrile, 2-(2-pyridinyl)-
CAS Number:
112513-69-6
Molecular Formula:
C14H9N3
Molecular Weight:
219.2414
IUPAC Name:
2-pyridin-2-ylisoindole-1-carbonitrile
InChI:
InChI=1S/C14H9N3/c15-9-13-12-6-2-1-5-11(12)10-17(13)14-7-3-4-8-16-14/h1-8,10H
InChI Key:
FXRBRIOPQOWEIF-UHFFFAOYSA-N
SMILES:
N#Cc1c2ccccc2cn1c1ccccn1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.247g/mol
Monoisotopic Mass:
219.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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