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1187171-86-3 | 4-(2,6-Dimethylbenzoyl)isoquinoline
CAS No: 1187171-86-3 Catalog No: AG01FDTP MDL No:
Product Description
Catalog Number:
AG01FDTP
Chemical Name:
4-(2,6-Dimethylbenzoyl)isoquinoline
CAS Number:
1187171-86-3
Molecular Formula:
C18H15NO
Molecular Weight:
261.3178
IUPAC Name:
(2,6-dimethylphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C18H15NO/c1-12-6-5-7-13(2)17(12)18(20)16-11-19-10-14-8-3-4-9-15(14)16/h3-11H,1-2H3
InChI Key:
DJKWXIMRYIYIGX-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C(=O)c1cncc2c1cccc2)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.324g/mol
Monoisotopic Mass:
261.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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