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1187169-39-6 | 5-(4-Butylbenzoyl)-2-chloropyridine
CAS No: 1187169-39-6 Catalog No: AG01FDSO MDL No:
Product Description
Catalog Number:
AG01FDSO
Chemical Name:
5-(4-Butylbenzoyl)-2-chloropyridine
CAS Number:
1187169-39-6
Molecular Formula:
C16H16ClNO
Molecular Weight:
273.7573
IUPAC Name:
(4-butylphenyl)-(6-chloropyridin-3-yl)methanone
InChI:
InChI=1S/C16H16ClNO/c1-2-3-4-12-5-7-13(8-6-12)16(19)14-9-10-15(17)18-11-14/h5-11H,2-4H2,1H3
InChI Key:
NETFNRUZCKDQRG-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.092g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.76g/mol
Monoisotopic Mass:
273.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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