Home Other Building Blocks 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene

1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene

CAS No.:
168971-68-4
Catalog Number:
AG001YEW
Molecular Formula:
C7H3BrF4O
Molecular Weight:
258.9957
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$13
- +
5g
95%
In Stock USA
United States
$24
- +
25g
95%
In Stock USA
United States
$82
- +
100g
95%
In Stock USA
United States
$244
- +
500g
95%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG001YEW
Chemical Name:
1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene
CAS Number:
168971-68-4
Molecular Formula:
C7H3BrF4O
Molecular Weight:
258.9957
MDL Number:
MFCD06657548
IUPAC Name:
1-bromo-2-fluoro-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3BrF4O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChI Key:
KZMHSGBETSENAT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1F)OC(F)(F)F
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.93g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.998g/mol
Monoisotopic Mass:
257.93g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties