Home Sulfos 3-Bromo-5-(methylsulfonyl)benzoic acid

3-Bromo-5-(methylsulfonyl)benzoic acid

CAS No.:
1186518-98-8
Catalog Number:
AG003J2H
Molecular Formula:
C8H7BrO4S
Molecular Weight:
279.1078
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥95%
In Stock USA
United States
$214
- +
1g
≥95%
In Stock USA
United States
$469
- +
Product Description
Catalog Number:
AG003J2H
Chemical Name:
3-Bromo-5-(methylsulfonyl)benzoic acid
CAS Number:
1186518-98-8
Molecular Formula:
C8H7BrO4S
Molecular Weight:
279.1078
MDL Number:
MFCD24107191
IUPAC Name:
3-bromo-5-methylsulfonylbenzoic acid
InChI:
InChI=1S/C8H7BrO4S/c1-14(12,13)7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)
InChI Key:
SGQDIUIVEWBSEB-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)S(=O)(=O)C)C(=O)O
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.925g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
279.104g/mol
Monoisotopic Mass:
277.925g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties