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37039-47-7

37039-47-7 | 2-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBONITRILE

CAS No: 37039-47-7 Catalog No: AG00CPWJ MDL No:

Product Description

Catalog Number:
AG00CPWJ
Chemical Name:
2-BENZYL-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBONITRILE
CAS Number:
37039-47-7
IUPAC Name:
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C17H16N2/c18-12-17-16-9-5-4-8-15(16)10-11-19(17)13-14-6-2-1-3-7-14/h1-9,17H,10-11,13H2
InChI Key:
ODRUROFSSYDHFL-UHFFFAOYSA-N

Properties

Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.329g/mol
Monoisotopic Mass:
248.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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