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731018-69-2 | 4-Bromo-1-methanesulfonyl-2-(trifluoromethoxy)benzene
CAS No: 731018-69-2 Catalog No: AG005CIB MDL No:MFCD15527445
Product Description
Catalog Number:
AG005CIB
Chemical Name:
4-Bromo-1-methanesulfonyl-2-(trifluoromethoxy)benzene
CAS Number:
731018-69-2
Molecular Formula:
C8H6BrF3O3S
Molecular Weight:
319.0956
MDL Number:
MFCD15527445
IUPAC Name:
4-bromo-1-methylsulfonyl-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6BrF3O3S/c1-16(13,14)7-3-2-5(9)4-6(7)15-8(10,11)12/h2-4H,1H3
InChI Key:
BTIZYKDXEHWPSN-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(Br)ccc1S(=O)(=O)C)(F)F
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
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