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Home > Indoles and Oxindole > 501948-42-1
501948-42-1 | 4-(indolizine-3-carbonyl)benzonitrile
CAS No: 501948-42-1 Catalog No: AG01DHIY MDL No:
Product Description
Catalog Number:
AG01DHIY
Chemical Name:
4-(indolizine-3-carbonyl)benzonitrile
CAS Number:
501948-42-1
Molecular Formula:
C16H10N2O
Molecular Weight:
246.2634
IUPAC Name:
4-(indolizine-3-carbonyl)benzonitrile
InChI:
InChI=1S/C16H10N2O/c17-11-12-4-6-13(7-5-12)16(19)15-9-8-14-3-1-2-10-18(14)15/h1-10H
InChI Key:
CXHQGLCKLIDQIL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1ccc2n1cccc2
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.269g/mol
Monoisotopic Mass:
246.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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