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85153-49-7 | Butanoic acid,2,4-dichloro-3-oxo-, octyl ester
CAS No: 85153-49-7 Catalog No: AG004MZB MDL No:
Product Description
Catalog Number:
AG004MZB
Chemical Name:
Butanoic acid,2,4-dichloro-3-oxo-, octyl ester
CAS Number:
85153-49-7
Molecular Formula:
C12H20Cl2O3
Molecular Weight:
283.1914
IUPAC Name:
octyl 2,4-dichloro-3-oxobutanoate
InChI:
InChI=1S/C12H20Cl2O3/c1-2-3-4-5-6-7-8-17-12(16)11(14)10(15)9-13/h11H,2-9H2,1H3
InChI Key:
LQJAFKFQGKZOLK-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)C(C(=O)CCl)Cl
EC Number:
285-830-3
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.189g/mol
Monoisotopic Mass:
282.079g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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