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883146-06-3 | 3-Bromo-4-trifluoromethoxybenzenesulfonyl chloride
CAS No: 883146-06-3 Catalog No: AG01EY68 MDL No:MFCD12026153
Product Description
Catalog Number:
AG01EY68
Chemical Name:
3-Bromo-4-trifluoromethoxybenzenesulfonyl chloride
CAS Number:
883146-06-3
Molecular Formula:
C7H3BrClF3O3S
Molecular Weight:
339.5141
MDL Number:
MFCD12026153
IUPAC Name:
3-bromo-4-(trifluoromethoxy)benzenesulfonyl chloride
InChI:
InChI=1S/C7H3BrClF3O3S/c8-5-3-4(16(9,13)14)1-2-6(5)15-7(10,11)12/h1-3H
InChI Key:
VYGXKXBCLAWISQ-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1OC(F)(F)F)S(=O)(=O)Cl
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.863g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.507g/mol
Monoisotopic Mass:
337.863g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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