Home Other Building Blocks 3-Chloro-4-(trifluoromethoxy)benzyl alcohol

3-Chloro-4-(trifluoromethoxy)benzyl alcohol

CAS No.:
56456-48-5
Catalog Number:
AG003AXY
Molecular Formula:
C8H6ClF3O2
Molecular Weight:
226.5802
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$100
- +
5g
95%
1 week
United States
$225
- +
Product Description
Catalog Number:
AG003AXY
Chemical Name:
3-Chloro-4-(trifluoromethoxy)benzyl alcohol
CAS Number:
56456-48-5
Molecular Formula:
C8H6ClF3O2
Molecular Weight:
226.5802
MDL Number:
MFCD01631559
IUPAC Name:
[3-chloro-4-(trifluoromethoxy)phenyl]methanol
InChI:
InChI=1S/C8H6ClF3O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-3,13H,4H2
InChI Key:
KPYSDIQXFHKDPU-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)Cl)OC(F)(F)F
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.001g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.579g/mol
Monoisotopic Mass:
226.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties