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1187169-64-7 | 5-(4-Butoxybenzoyl)-2-chloropyridine
CAS No: 1187169-64-7 Catalog No: AG01FDEA MDL No:
Product Description
Catalog Number:
AG01FDEA
Chemical Name:
5-(4-Butoxybenzoyl)-2-chloropyridine
CAS Number:
1187169-64-7
Molecular Formula:
C16H16ClNO2
Molecular Weight:
289.7567
IUPAC Name:
(4-butoxyphenyl)-(6-chloropyridin-3-yl)methanone
InChI:
InChI=1S/C16H16ClNO2/c1-2-3-10-20-14-7-4-12(5-8-14)16(19)13-6-9-15(17)18-11-13/h4-9,11H,2-3,10H2,1H3
InChI Key:
XQTWTUPNHFXTDR-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.759g/mol
Monoisotopic Mass:
289.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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