Home Halogens Ethyl 4,4,4-trichloroacetoacetate

Ethyl 4,4,4-trichloroacetoacetate

CAS No.:
3702-98-5
Catalog Number:
AG003KCQ
Molecular Formula:
C6H7Cl3O3
Molecular Weight:
233.4770
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$200
- +
10g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003KCQ
Chemical Name:
Ethyl 4,4,4-trichloroacetoacetate
CAS Number:
3702-98-5
Molecular Formula:
C6H7Cl3O3
Molecular Weight:
233.4770
MDL Number:
MFCD00043329
IUPAC Name:
ethyl 4,4,4-trichloro-3-oxobutanoate
InChI:
InChI=1S/C6H7Cl3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h2-3H2,1H3
InChI Key:
XGIRWPYENXRJMZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)C(Cl)(Cl)Cl
EC Number:
223-041-8
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.946g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.469g/mol
Monoisotopic Mass:
231.946g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties