Home Other Building Blocks 4-Bromo-2,3,6-trifluorobenzoic acid

4-Bromo-2,3,6-trifluorobenzoic acid

CAS No.:
415965-35-4
Catalog Number:
AG01DWF8
Molecular Formula:
C7H2BrF3O2
Molecular Weight:
254.9888
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$313
- +
5g
95%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG01DWF8
Chemical Name:
4-Bromo-2,3,6-trifluorobenzoic acid
CAS Number:
415965-35-4
Molecular Formula:
C7H2BrF3O2
Molecular Weight:
254.9888
MDL Number:
MFCD06203571
IUPAC Name:
4-bromo-2,3,6-trifluorobenzoic acid
InChI:
InChI=1S/C7H2BrF3O2/c8-2-1-3(9)4(7(12)13)6(11)5(2)10/h1H,(H,12,13)
InChI Key:
MTBBITIXENCEHJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)cc(c(c1F)F)Br
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.919g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.99g/mol
Monoisotopic Mass:
253.919g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties