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55662-89-0 | 2-Cyano-1,2,3,4-tetrahydro-2-phenylisoquinoline
CAS No: 55662-89-0 Catalog No: AG00DKGX MDL No:
Product Description
Catalog Number:
AG00DKGX
Chemical Name:
2-Cyano-1,2,3,4-tetrahydro-2-phenylisoquinoline
CAS Number:
55662-89-0
IUPAC Name:
2-phenyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C16H14N2/c17-12-16-15-9-5-4-6-13(15)10-11-18(16)14-7-2-1-3-8-14/h1-9,16H,10-11H2
InChI Key:
JFDUBCIPPATLNR-UHFFFAOYSA-N
Properties
Complexity:
323
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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