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904912-70-5 | 1-Cyanomethyl-2-phenyl-1,2-dihydroisoquinoline
CAS No: 904912-70-5 Catalog No: AG01EYZA MDL No:
Product Description
Catalog Number:
AG01EYZA
Chemical Name:
1-Cyanomethyl-2-phenyl-1,2-dihydroisoquinoline
CAS Number:
904912-70-5
Molecular Formula:
C17H14N2
Molecular Weight:
246.3065
IUPAC Name:
2-(2-phenyl-1H-isoquinolin-1-yl)acetonitrile
InChI:
InChI=1S/C17H14N2/c18-12-10-17-16-9-5-4-6-14(16)11-13-19(17)15-7-2-1-3-8-15/h1-9,11,13,17H,10H2
InChI Key:
ZNHMRVNRHIBUQV-UHFFFAOYSA-N
SMILES:
N#CCC1N(C=Cc2c1cccc2)c1ccccc1
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.313g/mol
Monoisotopic Mass:
246.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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