Home Bromides 1445322-50-8
1445322-50-8,MFCD15527449
Catalog No.:AA00AQEW
1445322-50-8 | 2-BroMo-1-Methanesulfonyl-4-(trifluoroMethoxy)benzene
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Purity
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Price(USD)
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1g
98%
in stock  
$295.00
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5g
98%
in stock  
$1,089.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00AQEW
Chemical Name:
2-BroMo-1-Methanesulfonyl-4-(trifluoroMethoxy)benzene
CAS Number:
1445322-50-8
Molecular Formula:
C8H6BrF3O3S
Molecular Weight:
319.0956
MDL Number:
MFCD15527449
IUPAC Name:
2-bromo-1-methylsulfonyl-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6BrF3O3S/c1-16(13,14)7-3-2-5(4-6(7)9)15-8(10,11)12/h2-4H,1H3
InChI Key:
PVBDKHOYTORIOG-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1S(=O)(=O)C)OC(F)(F)F
Properties
Computed Properties
 
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.917g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.092g/mol
Monoisotopic Mass:
317.917g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
2-Bromo-1-methanesulfonyl-4-(trifluoromethoxy)benzene 
1445322-50-8 
ZINC95496048 
V3328 
C8H6BrF3O3S 
Literature
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