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1187165-76-9 | 4-(2-Methoxybenzoyl)isoquinoline
CAS No: 1187165-76-9 Catalog No: AG01FEKE MDL No:
Product Description
Catalog Number:
AG01FEKE
Chemical Name:
4-(2-Methoxybenzoyl)isoquinoline
CAS Number:
1187165-76-9
Molecular Formula:
C17H13NO2
Molecular Weight:
263.2906
IUPAC Name:
isoquinolin-4-yl-(2-methoxyphenyl)methanone
InChI:
InChI=1S/C17H13NO2/c1-20-16-9-5-4-8-14(16)17(19)15-11-18-10-12-6-2-3-7-13(12)15/h2-11H,1H3
InChI Key:
BWFFXVIKAGRDPA-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)c1cncc2c1cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.296g/mol
Monoisotopic Mass:
263.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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