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927699-47-6 | 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)benzonitrile
CAS No: 927699-47-6 Catalog No: AG01B3ZY MDL No:MFCD11135535
Product Description
Catalog Number:
AG01B3ZY
Chemical Name:
4-(1,2,3,4-tetrahydroisoquinolin-2-yl)benzonitrile
CAS Number:
927699-47-6
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
MDL Number:
MFCD11135535
IUPAC Name:
4-(3,4-dihydro-1H-isoquinolin-2-yl)benzonitrile
InChI:
InChI=1S/C16H14N2/c17-11-13-5-7-16(8-6-13)18-10-9-14-3-1-2-4-15(14)12-18/h1-8H,9-10,12H2
InChI Key:
ULJBGEGYQGIJMJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)N1CCc2c(C1)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:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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