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1187171-84-1 | 4-(2,4-Dimethylbenzoyl)isoquinoline
CAS No: 1187171-84-1 Catalog No: AG01FDTN MDL No:
Product Description
Catalog Number:
AG01FDTN
Chemical Name:
4-(2,4-Dimethylbenzoyl)isoquinoline
CAS Number:
1187171-84-1
Molecular Formula:
C18H15NO
Molecular Weight:
261.3178
IUPAC Name:
(2,4-dimethylphenyl)-isoquinolin-4-ylmethanone
InChI:
InChI=1S/C18H15NO/c1-12-7-8-15(13(2)9-12)18(20)17-11-19-10-14-5-3-4-6-16(14)17/h3-11H,1-2H3
InChI Key:
FITWLNKXAZPDRR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)C(=O)c1cncc2c1cccc2
Properties
Complexity:
353
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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