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1187169-56-7 | 4-(4-methylbenzoyl)isoquinoline
CAS No: 1187169-56-7 Catalog No: AG015I62 MDL No:MFCD13153014
Product Description
Catalog Number:
AG015I62
Chemical Name:
4-(4-methylbenzoyl)isoquinoline
CAS Number:
1187169-56-7
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
MDL Number:
MFCD13153014
IUPAC Name:
isoquinolin-4-yl-(4-methylphenyl)methanone
InChI:
InChI=1S/C17H13NO/c1-12-6-8-13(9-7-12)17(19)16-11-18-10-14-4-2-3-5-15(14)16/h2-11H,1H3
InChI Key:
KHKBAUCLCAPHQH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.1g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.297g/mol
Monoisotopic Mass:
247.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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