Home Sulfos 5-Bromo-2-(methylsulfonyl)benzotrifluoride

5-Bromo-2-(methylsulfonyl)benzotrifluoride

CAS No.:
300356-32-5
Catalog Number:
AG00BGXD
Molecular Formula:
C8H6BrF3O2S
Molecular Weight:
303.0962
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$200
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00BGXD
Chemical Name:
5-Bromo-2-(methylsulfonyl)benzotrifluoride
CAS Number:
300356-32-5
Molecular Formula:
C8H6BrF3O2S
Molecular Weight:
303.0962
MDL Number:
MFCD13195738
IUPAC Name:
4-bromo-1-methylsulfonyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3O2S/c1-15(13,14)7-3-2-5(9)4-6(7)8(10,11)12/h2-4H,1H3
InChI Key:
DJWJDMOGILQESS-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.922g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.093g/mol
Monoisotopic Mass:
301.922g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties