Home Halogens Allyl chlorodifluoroacetate

Allyl chlorodifluoroacetate

CAS No.:
118337-48-7
Catalog Number:
AG0076TH
Molecular Formula:
C5H5ClF2O2
Molecular Weight:
170.5418
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$188
- +
25g
95%
In Stock USA
United States
$744
- +
Product Description
Catalog Number:
AG0076TH
Chemical Name:
Allyl chlorodifluoroacetate
CAS Number:
118337-48-7
Molecular Formula:
C5H5ClF2O2
Molecular Weight:
170.5418
MDL Number:
MFCD09033650
IUPAC Name:
prop-2-enyl 2-chloro-2,2-difluoroacetate
InChI:
InChI=1S/C5H5ClF2O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
InChI Key:
RVOSMQFOBYVXQI-UHFFFAOYSA-N
SMILES:
C=CCOC(=O)C(Cl)(F)F
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.995g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.54g/mol
Monoisotopic Mass:
169.995g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Stereoselective Reformatskii-Claisen rearrangement: synthesis of 2',3'-dideoxy-6',6'-difluoro-2'-thionucleosides. Chemical communications (Cambridge, England) 20090328
Properties