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82342-56-1 | Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-
CAS No: 82342-56-1 Catalog No: AG00541H MDL No:
Product Description
Catalog Number:
AG00541H
Chemical Name:
Isoquinoline, 2-benzoyl-1,2,3,4-tetrahydro-
CAS Number:
82342-56-1
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
IUPAC Name:
3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methanone
InChI:
InChI=1S/C16H15NO/c18-16(14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)12-17/h1-9H,10-12H2
InChI Key:
QXUMOIJXVLZMFC-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)cccc2)c1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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