Home Bromides 959961-65-0
959961-65-0,MFCD12032287
Catalog No.:AA00IJMY
2-bromo-1-fluoro-4-(methylsulfonyl)benzene | 959961-65-0
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250mg
96%
in stock  
$233.00
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1g
96%
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$477.00
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  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00IJMY
Chemical Name:
2-bromo-1-fluoro-4-(methylsulfonyl)benzene
CAS Number:
959961-65-0
Molecular Formula:
C7H6BrFO2S
Molecular Weight:
253.0887
MDL Number:
MFCD12032287
IUPAC Name:
2-bromo-1-fluoro-4-methylsulfonylbenzene
InChI:
InChI=1S/C7H6BrFO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChI Key:
LVCOOUAQCQKOJG-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1Br)S(=O)(=O)C
Properties
Computed Properties
 
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.926g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.085g/mol
Monoisotopic Mass:
251.926g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Synonyms
 
959961-65-0 
2-BROMO-1-FLUORO-4-METHANESULFONYLBENZENE 
V9859 
Benzene, 2-bromo-1-fluoro-4-(methylsulfonyl)- 
C7H6BrFO2S 
3-Bromo-4-fluorophenyl methyl sulfone 
2-bromo-1-fluoro-4-(methylsulfonyl)benzene 
SCHEMBL2381326 
LVCOOUAQCQKOJG-UHFFFAOYSA-N 
KM3408 
MFCD12032287 
ZINC75915374 
2-bromo-1-fluoro-4-methylsulfonylbenzene 
2-bromo-4-methylsulfonyl-1-fluorobenzene 
Literature
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