3-Buten-2-one, 1,1,1-trichloro-4-ethoxy-, (3E)-


Chemical Name: 3-Buten-2-one, 1,1,1-trichloro-4-ethoxy-, (3E)-
CAS Number: 59938-07-7
Product Number: AG00F2IS(AGN-PC-0OD06Z)
Synonyms:
MDL No:
Molecular Formula: C6H7Cl3O2
Molecular Weight: 217.4776

Identification/Properties


Computed Properties
Molecular Weight:
217.47g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
215.951g/mol
Monoisotopic Mass:
215.951g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
160
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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