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151129-10-1 | Benzonitrile, 4-(5,6,7,8-tetrahydro-2-quinolinyl)-
CAS No: 151129-10-1 Catalog No: AG001N3M MDL No:
Product Description
Catalog Number:
AG001N3M
Chemical Name:
Benzonitrile, 4-(5,6,7,8-tetrahydro-2-quinolinyl)-
CAS Number:
151129-10-1
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
IUPAC Name:
4-(5,6,7,8-tetrahydroquinolin-2-yl)benzonitrile
InChI:
InChI=1S/C16H14N2/c17-11-12-5-7-14(8-6-12)16-10-9-13-3-1-2-4-15(13)18-16/h5-10H,1-4H2
InChI Key:
WPVDYMFVILSALY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc2c(n1)CCCC2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.302g/mol
Monoisotopic Mass:
234.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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