Home Halogens (3E)-1,1,1-trichloro-4-ethoxy-3-methylbut-3-en-2-one

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

CAS No.:
121781-57-5
Catalog Number:
AG01BIYJ
Molecular Formula:
C7H9Cl3O2
Molecular Weight:
231.5042
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Product Description
Catalog Number:
AG01BIYJ
Chemical Name:
(3E)-1,1,1-trichloro-4-ethoxy-3-methylbut-3-en-2-one
CAS Number:
121781-57-5
Molecular Formula:
C7H9Cl3O2
Molecular Weight:
231.5042
IUPAC Name:
1,1,1-trichloro-4-ethoxy-3-methylbut-3-en-2-one
InChI:
InChI=1S/C7H9Cl3O2/c1-3-12-4-5(2)6(11)7(8,9)10/h4H,3H2,1-2H3
InChI Key:
BGHXUMZQYBZECU-UHFFFAOYSA-N
SMILES:
CCO/C=C(/C(=O)C(Cl)(Cl)Cl)\C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.967g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.497g/mol
Monoisotopic Mass:
229.967g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.8  
Properties