Home Halogens Benzeneethanol, 4-bromo-α-(trifluoromethyl)-

Benzeneethanol, 4-bromo-α-(trifluoromethyl)-

CAS No.:
1148050-30-9
Catalog Number:
AG000F9C
Molecular Formula:
C9H8BrF3O
Molecular Weight:
269.0584
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000F9C
Chemical Name:
Benzeneethanol, 4-bromo-α-(trifluoromethyl)-
CAS Number:
1148050-30-9
Molecular Formula:
C9H8BrF3O
Molecular Weight:
269.0584
MDL Number:
MFCD16615965
IUPAC Name:
3-(4-bromophenyl)-1,1,1-trifluoropropan-2-ol
InChI:
InChI=1S/C9H8BrF3O/c10-7-3-1-6(2-4-7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChI Key:
NUQKLBWHNGSIIU-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)Cc1ccc(cc1)Br
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.971g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.061g/mol
Monoisotopic Mass:
267.971g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties