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1187169-66-9 | 2-Chloro-5-(4-hexyloxybenzoyl)pyridine
CAS No: 1187169-66-9 Catalog No: AG01FCJU MDL No:
Product Description
Catalog Number:
AG01FCJU
Chemical Name:
2-Chloro-5-(4-hexyloxybenzoyl)pyridine
CAS Number:
1187169-66-9
Molecular Formula:
C18H20ClNO2
Molecular Weight:
317.8099
IUPAC Name:
(6-chloropyridin-3-yl)-(4-hexoxyphenyl)methanone
InChI:
InChI=1S/C18H20ClNO2/c1-2-3-4-5-12-22-16-9-6-14(7-10-16)18(21)15-8-11-17(19)20-13-15/h6-11,13H,2-5,12H2,1H3
InChI Key:
VUWGBJXMGHLLCH-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.118g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.813g/mol
Monoisotopic Mass:
317.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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