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Home > Bromides > 1242069-33-5
1242069-33-5 | Benzoic acid, 3-bromo-4-[[(trifluoromethyl)sulfonyl]oxy]-5-(trimethylsilyl)-, methyl ester
CAS No: 1242069-33-5 Catalog No: AG000LOC MDL No:MFCD25948970
Product Description
Catalog Number:
AG000LOC
Chemical Name:
Benzoic acid, 3-bromo-4-[[(trifluoromethyl)sulfonyl]oxy]-5-(trimethylsilyl)-, methyl ester
CAS Number:
1242069-33-5
Molecular Formula:
C12H14BrF3O5SSi
Molecular Weight:
435.2863
MDL Number:
MFCD25948970
IUPAC Name:
methyl 3-bromo-4-(trifluoromethylsulfonyloxy)-5-trimethylsilylbenzoate
InChI:
InChI=1S/C12H14BrF3O5SSi/c1-20-11(17)7-5-8(13)10(9(6-7)23(2,3)4)21-22(18,19)12(14,15)16/h5-6H,1-4H3
InChI Key:
RGKMJQOXILFSKS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(c(c1)[Si](C)(C)C)OS(=O)(=O)C(F)(F)F
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.947g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.283g/mol
Monoisotopic Mass:
433.947g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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