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1187165-88-3 | 4-(3-methylbenzoyl)isoquinoline
CAS No: 1187165-88-3 Catalog No: AG015I68 MDL No:MFCD13153013
Product Description
Catalog Number:
AG015I68
Chemical Name:
4-(3-methylbenzoyl)isoquinoline
CAS Number:
1187165-88-3
Molecular Formula:
C17H13NO
Molecular Weight:
247.2912
MDL Number:
MFCD13153013
IUPAC Name:
isoquinolin-4-yl-(3-methylphenyl)methanone
InChI:
InChI=1S/C17H13NO/c1-12-5-4-7-13(9-12)17(19)16-11-18-10-14-6-2-3-8-15(14)16/h2-11H,1H3
InChI Key:
KNXFZXGHRJGEFR-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)c1cncc2c1cccc2
Properties
Complexity:
327
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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