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54403-98-4 | 2-Bromo-4-(trifluoromethyl)benzene-1-sulfonyl chloride
CAS No: 54403-98-4 Catalog No: AG003B6D MDL No:MFCD03094394
Product Description
Catalog Number:
AG003B6D
Chemical Name:
2-Bromo-4-(trifluoromethyl)benzene-1-sulfonyl chloride
CAS Number:
54403-98-4
Molecular Formula:
C7H3BrClF3O2S
Molecular Weight:
323.5147
MDL Number:
MFCD03094394
IUPAC Name:
2-bromo-4-(trifluoromethyl)benzenesulfonyl chloride
InChI:
InChI=1S/C7H3BrClF3O2S/c8-5-3-4(7(10,11)12)1-2-6(5)15(9,13)14/h1-3H
InChI Key:
WWEGTYZLWBOTQW-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1S(=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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