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Home > Indoles and Oxindole > 501948-43-2
501948-43-2 | 4-(indolizin-3-ylmethyl)benzonitrile
CAS No: 501948-43-2 Catalog No: AG01DKH3 MDL No:MFCD30480838
Product Description
Catalog Number:
AG01DKH3
Chemical Name:
4-(indolizin-3-ylmethyl)benzonitrile
CAS Number:
501948-43-2
Molecular Formula:
C16H12N2
Molecular Weight:
232.2799
MDL Number:
MFCD30480838
IUPAC Name:
4-(indolizin-3-ylmethyl)benzonitrile
InChI:
InChI=1S/C16H12N2/c17-12-14-6-4-13(5-7-14)11-16-9-8-15-3-1-2-10-18(15)16/h1-10H,11H2
InChI Key:
NSFYQVSFMUVKQZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Cc1ccc2n1cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.286g/mol
Monoisotopic Mass:
232.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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