Home Halogens [3,5-Bis(trifluoromethyl)phenyl]methyl 1-chloroethyl carbonate

[3,5-Bis(trifluoromethyl)phenyl]methyl 1-chloroethyl carbonate

CAS No.:
1965304-97-5
Catalog Number:
AG01F6BE
Molecular Formula:
C12H9ClF6O3
Molecular Weight:
350.6415
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$274
- +
5g
99%
1 week
United States
$746
- +
Product Description
Catalog Number:
AG01F6BE
Chemical Name:
[3,5-Bis(trifluoromethyl)phenyl]methyl 1-chloroethyl carbonate
CAS Number:
1965304-97-5
Molecular Formula:
C12H9ClF6O3
Molecular Weight:
350.6415
MDL Number:
MFCD28369625
IUPAC Name:
[3,5-bis(trifluoromethyl)phenyl]methyl 1-chloroethyl carbonate
InChI:
InChI=1S/C12H9ClF6O3/c1-6(13)22-10(20)21-5-7-2-8(11(14,15)16)4-9(3-7)12(17,18)19/h2-4,6H,5H2,1H3
InChI Key:
ALGNUOBPNWLUSY-UHFFFAOYSA-N
SMILES:
CC(OC(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)Cl
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.014g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.641g/mol
Monoisotopic Mass:
350.014g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties