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83584-42-3 | 3-(Isoquinolin-1-ylmethyl)benzonitrile
CAS No: 83584-42-3 Catalog No: AG01ECII MDL No:
Product Description
Catalog Number:
AG01ECII
Chemical Name:
3-(Isoquinolin-1-ylmethyl)benzonitrile
CAS Number:
83584-42-3
IUPAC Name:
3-(isoquinolin-1-ylmethyl)benzonitrile
InChI:
InChI=1S/C17H12N2/c18-12-14-5-3-4-13(10-14)11-17-16-7-2-1-6-15(16)8-9-19-17/h1-10H,11H2
InChI Key:
MXVRQLXYEWPQRA-UHFFFAOYSA-N
Properties
Complexity:
342
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:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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