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1187169-42-1 | 2-Chloro-5-(4-pentylbenzoyl)pyridine
CAS No: 1187169-42-1 Catalog No: AG01FDE8 MDL No:
Product Description
Catalog Number:
AG01FDE8
Chemical Name:
2-Chloro-5-(4-pentylbenzoyl)pyridine
CAS Number:
1187169-42-1
Molecular Formula:
C17H18ClNO
Molecular Weight:
287.7839
IUPAC Name:
(6-chloropyridin-3-yl)-(4-pentylphenyl)methanone
InChI:
InChI=1S/C17H18ClNO/c1-2-3-4-5-13-6-8-14(9-7-13)17(20)15-10-11-16(18)19-12-15/h6-12H,2-5H2,1H3
InChI Key:
YDZVXPRYSWXOEE-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.787g/mol
Monoisotopic Mass:
287.108g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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