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1187170-34-8 | 2-Chloro-5-(4-pentyloxybenzoyl)pyridine
CAS No: 1187170-34-8 Catalog No: AG01FC7P MDL No:
Product Description
Catalog Number:
AG01FC7P
Chemical Name:
2-Chloro-5-(4-pentyloxybenzoyl)pyridine
CAS Number:
1187170-34-8
Molecular Formula:
C17H18ClNO2
Molecular Weight:
303.7833
IUPAC Name:
(6-chloropyridin-3-yl)-(4-pentoxyphenyl)methanone
InChI:
InChI=1S/C17H18ClNO2/c1-2-3-4-11-21-15-8-5-13(6-9-15)17(20)14-7-10-16(18)19-12-14/h5-10,12H,2-4,11H2,1H3
InChI Key:
BHKRKNXBPBWCAF-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.786g/mol
Monoisotopic Mass:
303.103g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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