Home Other Building Blocks 4-Bromo-3,5-bis(trifluoromethyl)anisole

4-Bromo-3,5-bis(trifluoromethyl)anisole

CAS No.:
1261669-52-6
Catalog Number:
AG000RXM
Molecular Formula:
C9H5BrF6O
Molecular Weight:
323.0298
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$152
- +
5g
95%
1 week
United States
$378
- +
Product Description
Catalog Number:
AG000RXM
Chemical Name:
4-Bromo-3,5-bis(trifluoromethyl)anisole
CAS Number:
1261669-52-6
Molecular Formula:
C9H5BrF6O
Molecular Weight:
323.0298
MDL Number:
MFCD18390183
IUPAC Name:
2-bromo-5-methoxy-1,3-bis(trifluoromethyl)benzene
InChI:
InChI=1S/C9H5BrF6O/c1-17-4-2-5(8(11,12)13)7(10)6(3-4)9(14,15)16/h2-3H,1H3
InChI Key:
XKNXVRHDVZGFOC-UHFFFAOYSA-N
SMILES:
COc1cc(c(c(c1)C(F)(F)F)Br)C(F)(F)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.943g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.032g/mol
Monoisotopic Mass:
321.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties