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2007919-60-8 | 2-Benzoyl-8-Methyl-2,3-Dihydroisoquinoline-1-Carbonitrile
CAS No: 2007919-60-8 Catalog No: AG01EFN3 MDL No:MFCD30471979
Product Description
Catalog Number:
AG01EFN3
Chemical Name:
2-Benzoyl-8-Methyl-2,3-Dihydroisoquinoline-1-Carbonitrile
CAS Number:
2007919-60-8
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
MDL Number:
MFCD30471979
IUPAC Name:
2-benzoyl-8-methyl-3H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C18H14N2O/c1-13-6-5-9-14-10-11-20(16(12-19)17(13)14)18(21)15-7-3-2-4-8-15/h2-10H,11H2,1H3
InChI Key:
PDTWTQDRQWPYGI-UHFFFAOYSA-N
SMILES:
N#CC1=c2c(C)cccc2=CCN1C(=O)c1ccccc1
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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