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176225-08-4 | Benzenesulfonyl chloride, 2-bromo-5-(trifluoromethyl)-
CAS No: 176225-08-4 Catalog No: AG0024I6 MDL No:MFCD03094395
Product Description
Catalog Number:
AG0024I6
Chemical Name:
Benzenesulfonyl chloride, 2-bromo-5-(trifluoromethyl)-
CAS Number:
176225-08-4
Molecular Formula:
C7H3BrClF3O2S
Molecular Weight:
323.5147
MDL Number:
MFCD03094395
IUPAC Name:
2-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C7H3BrClF3O2S/c8-5-2-1-4(7(10,11)12)3-6(5)15(9,13)14/h1-3H
InChI Key:
CBIFOAHDKKGDAC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1S(=O)(=O)Cl)C(F)(F)F
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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