Home Bromides 1186518-98-8
1186518-98-8,MFCD24107191
Catalog No.:AA003IZP
1186518-98-8 | 3-Bromo-5-(methylsulfonyl)benzoic acid
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250mg
≥95%
in stock  
$223.00   $156.00
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1g
≥95%
in stock  
$515.00   $360.00
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Technical Information
Catalog Number:
AA003IZP
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
Computed 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  

Synonyms
 
3-Bromo-5-(methylsulfonyl)benzoic Acid 
1186518-98-8 
ZINC116347742 
TRA-0204882 
CS-11809 
SY030773 
FT-0741081 
MFCD24107191 (95%) 
3-bromo-5-methylsulfonylbenzoic acid 
SCHEMBL1495747 
KS-00000CYJ 
SGQDIUIVEWBSEB-UHFFFAOYSA-N 
MFCD24107191 
3-bromo-5-methanesulfonylbenzoic acid 
3-Bromo-5-(methylsulfonyl)benzoicAcid 
AKOS020006854 
Literature
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