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890100-59-1 | ETHYL 7-(2-CHLORO-PYRIDIN-3-YL)-7-OXOHEPTANOATE
CAS No: 890100-59-1 Catalog No: AG0043KJ MDL No:
Product Description
Catalog Number:
AG0043KJ
Chemical Name:
ETHYL 7-(2-CHLORO-PYRIDIN-3-YL)-7-OXOHEPTANOATE
CAS Number:
890100-59-1
Molecular Formula:
C14H18ClNO3
Molecular Weight:
283.7506
IUPAC Name:
ethyl 7-(2-chloropyridin-3-yl)-7-oxoheptanoate
InChI:
InChI=1S/C14H18ClNO3/c1-2-19-13(18)9-5-3-4-8-12(17)11-7-6-10-16-14(11)15/h6-7,10H,2-5,8-9H2,1H3
InChI Key:
FHLADEQXUZBUQH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1cccnc1Cl
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.752g/mol
Monoisotopic Mass:
283.098g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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