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1187165-04-3 | 2-Chloro-5-(4-propylbenzoyl)pyridine
CAS No: 1187165-04-3 Catalog No: AG01FDCL MDL No:
Product Description
Catalog Number:
AG01FDCL
Chemical Name:
2-Chloro-5-(4-propylbenzoyl)pyridine
CAS Number:
1187165-04-3
Molecular Formula:
C15H14ClNO
Molecular Weight:
259.7308
IUPAC Name:
(6-chloropyridin-3-yl)-(4-propylphenyl)methanone
InChI:
InChI=1S/C15H14ClNO/c1-2-3-11-4-6-12(7-5-11)15(18)13-8-9-14(16)17-10-13/h4-10H,2-3H2,1H3
InChI Key:
PXKKWKRBYUGTDY-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.733g/mol
Monoisotopic Mass:
259.076g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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