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176225-10-8 | Benzenesulfonyl chloride, 4-bromo-2-(trifluoromethyl)-
CAS No: 176225-10-8 Catalog No: AG0024I4 MDL No:MFCD03094392
Product Description
Catalog Number:
AG0024I4
Chemical Name:
Benzenesulfonyl chloride, 4-bromo-2-(trifluoromethyl)-
CAS Number:
176225-10-8
Molecular Formula:
C7H3BrClF3O2S
Molecular Weight:
323.5147
MDL Number:
MFCD03094392
IUPAC Name:
4-bromo-2-(trifluoromethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C7H3BrClF3O2S/c8-4-1-2-6(15(9,13)14)5(3-4)7(10,11)12/h1-3H
InChI Key:
YFXYEMZYOMNQLD-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(F)(F)F)S(=O)(=O)Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.868g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.508g/mol
Monoisotopic Mass:
321.868g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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