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1402452-28-1 | Benzonitrile, 4-(1-methyl-3-isoquinolinyl)-
CAS No: 1402452-28-1 Catalog No: AG001C79 MDL No:
Product Description
Catalog Number:
AG001C79
Chemical Name:
Benzonitrile, 4-(1-methyl-3-isoquinolinyl)-
CAS Number:
1402452-28-1
Molecular Formula:
C17H12N2
Molecular Weight:
244.2906
IUPAC Name:
4-(1-methylisoquinolin-3-yl)benzonitrile
InChI:
InChI=1S/C17H12N2/c1-12-16-5-3-2-4-15(16)10-17(19-12)14-8-6-13(11-18)7-9-14/h2-10H,1H3
InChI Key:
OIZYVEKDLYDRGG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cc2ccccc2c(n1)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.297g/mol
Monoisotopic Mass:
244.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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