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945347-37-5 | 2-(3,4-dihydroisoquinolin-2(1H)-yl)nicotinonitrile
CAS No: 945347-37-5 Catalog No: AG00J9CA MDL No:MFCD09455260
Product Description
Catalog Number:
AG00J9CA
Chemical Name:
2-(3,4-dihydroisoquinolin-2(1H)-yl)nicotinonitrile
CAS Number:
945347-37-5
Molecular Formula:
C15H13N3
Molecular Weight:
235.2838
MDL Number:
MFCD09455260
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C15H13N3/c16-10-13-6-3-8-17-15(13)18-9-7-12-4-1-2-5-14(12)11-18/h1-6,8H,7,9,11H2
InChI Key:
QTPARYQPKQDVAT-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1N1CCc2c(C1)cccc2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.29g/mol
Monoisotopic Mass:
235.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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