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1187169-45-4 | 2-Chloro-5-(4-hexylbenzoyl)pyridine
CAS No: 1187169-45-4 Catalog No: AG01FDSP MDL No:
Product Description
Catalog Number:
AG01FDSP
Chemical Name:
2-Chloro-5-(4-hexylbenzoyl)pyridine
CAS Number:
1187169-45-4
Molecular Formula:
C18H20ClNO
Molecular Weight:
301.8105
IUPAC Name:
(6-chloropyridin-3-yl)-(4-hexylphenyl)methanone
InChI:
InChI=1S/C18H20ClNO/c1-2-3-4-5-6-14-7-9-15(10-8-14)18(21)16-11-12-17(19)20-13-16/h7-13H,2-6H2,1H3
InChI Key:
PJIMRMCHSNTKKM-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.814g/mol
Monoisotopic Mass:
301.123g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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