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1187166-09-1 | 3-(3-Phenoxybenzoyl)quinoline
CAS No: 1187166-09-1 Catalog No: AG01FF53 MDL No:
Product Description
Catalog Number:
AG01FF53
Chemical Name:
3-(3-Phenoxybenzoyl)quinoline
CAS Number:
1187166-09-1
Molecular Formula:
C22H15NO2
Molecular Weight:
325.3600
IUPAC Name:
(3-phenoxyphenyl)-quinolin-3-ylmethanone
InChI:
InChI=1S/C22H15NO2/c24-22(18-13-16-7-4-5-12-21(16)23-15-18)17-8-6-11-20(14-17)25-19-9-2-1-3-10-19/h1-15H
InChI Key:
RPTOUYCHUZGVJX-UHFFFAOYSA-N
SMILES:
O=C(c1cnc2c(c1)cccc2)c1cccc(c1)Oc1ccccc1
Properties
Complexity:
445
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:
4.9
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