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Home > Bromides > 1150271-31-0
1150271-31-0 | Benzene, 1,3-dibromo-2-methyl-5-[(trifluoromethyl)sulfonyl]-
CAS No: 1150271-31-0 Catalog No: AG000FQ9 MDL No:MFCD12026060
Product Description
Catalog Number:
AG000FQ9
Chemical Name:
Benzene, 1,3-dibromo-2-methyl-5-[(trifluoromethyl)sulfonyl]-
CAS Number:
1150271-31-0
Molecular Formula:
C8H5Br2F3O2S
Molecular Weight:
381.9923
MDL Number:
MFCD12026060
IUPAC Name:
1,3-dibromo-2-methyl-5-(trifluoromethylsulfonyl)benzene
InChI:
InChI=1S/C8H5Br2F3O2S/c1-4-6(9)2-5(3-7(4)10)16(14,15)8(11,12)13/h2-3H,1H3
InChI Key:
QDGQQIQWVGDVAJ-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)c1cc(Br)c(c(c1)Br)C)(F)F
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.831g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.989g/mol
Monoisotopic Mass:
379.833g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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