Home Halogens (E)-1,1,1-Trichloro-4-ethoxybut-3-en-2-one

(E)-1,1,1-Trichloro-4-ethoxybut-3-en-2-one

CAS No.:
59938-07-7
Catalog Number:
AG00F2IS
Molecular Formula:
C6H7Cl3O2
Molecular Weight:
217.4776
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$88
- +
5g
95%
1 week
United States
$171
- +
10g
97%
1 week
United States
$263
- +
25g
95%
1 week
United States
$444
- +
100g
95%
1 week
United States
$1038
- +
Product Description
Catalog Number:
AG00F2IS
Chemical Name:
(E)-1,1,1-Trichloro-4-ethoxybut-3-en-2-one
CAS Number:
59938-07-7
Molecular Formula:
C6H7Cl3O2
Molecular Weight:
217.4776
MDL Number:
MFCD11520438
IUPAC Name:
(E)-1,1,1-trichloro-4-ethoxybut-3-en-2-one
InChI:
InChI=1S/C6H7Cl3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+
InChI Key:
VKNLVLNOHCTKII-ONEGZZNKSA-N
SMILES:
CCO/C=C/C(=O)C(Cl)(Cl)Cl
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
215.951g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.47g/mol
Monoisotopic Mass:
215.951g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties