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890100-61-5 | ETHYL 8-(2-CHLORO-PYRIDIN-3-YL)-8-OXOOCTANOATE
CAS No: 890100-61-5 Catalog No: AG0042V9 MDL No:
Product Description
Catalog Number:
AG0042V9
Chemical Name:
ETHYL 8-(2-CHLORO-PYRIDIN-3-YL)-8-OXOOCTANOATE
CAS Number:
890100-61-5
Molecular Formula:
C15H20ClNO3
Molecular Weight:
297.7772
IUPAC Name:
ethyl 8-(2-chloropyridin-3-yl)-8-oxooctanoate
InChI:
InChI=1S/C15H20ClNO3/c1-2-20-14(19)10-6-4-3-5-9-13(18)12-8-7-11-17-15(12)16/h7-8,11H,2-6,9-10H2,1H3
InChI Key:
VUBJHCFVJRMCFS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCCC(=O)c1cccnc1Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.113g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.779g/mol
Monoisotopic Mass:
297.113g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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