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1187165-82-7 | 4-(4-Phenoxybenzoyl)isoquinoline
CAS No: 1187165-82-7 Catalog No: AG01FEKG MDL No:
Product Description
Catalog Number:
AG01FEKG
Chemical Name:
4-(4-Phenoxybenzoyl)isoquinoline
CAS Number:
1187165-82-7
Molecular Formula:
C22H15NO2
Molecular Weight:
325.3600
IUPAC Name:
isoquinolin-4-yl-(4-phenoxyphenyl)methanone
InChI:
InChI=1S/C22H15NO2/c24-22(21-15-23-14-17-6-4-5-9-20(17)21)16-10-12-19(13-11-16)25-18-7-2-1-3-8-18/h1-15H
InChI Key:
URKGCNMYMMFQEG-UHFFFAOYSA-N
SMILES:
O=C(c1cncc2c1cccc2)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.367g/mol
Monoisotopic Mass:
325.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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