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1187169-46-5 | 2-Chloro-5-(4-heptyloxybenzoyl)pyridine
CAS No: 1187169-46-5 Catalog No: AG01FC7K MDL No:
Product Description
Catalog Number:
AG01FC7K
Chemical Name:
2-Chloro-5-(4-heptyloxybenzoyl)pyridine
CAS Number:
1187169-46-5
Molecular Formula:
C19H22ClNO2
Molecular Weight:
331.8365
IUPAC Name:
(6-chloropyridin-3-yl)-(4-heptoxyphenyl)methanone
InChI:
InChI=1S/C19H22ClNO2/c1-2-3-4-5-6-13-23-17-10-7-15(8-11-17)19(22)16-9-12-18(20)21-14-16/h7-12,14H,2-6,13H2,1H3
InChI Key:
PASZUADAWSBSOZ-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.134g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.84g/mol
Monoisotopic Mass:
331.134g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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