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16368-43-7 | Benzenamine, 2-bromo-4-[(trifluoromethyl)sulfonyl]-
CAS No: 16368-43-7 Catalog No: AG001UBF MDL No:
Product Description
Catalog Number:
AG001UBF
Chemical Name:
Benzenamine, 2-bromo-4-[(trifluoromethyl)sulfonyl]-
CAS Number:
16368-43-7
Molecular Formula:
C7H5BrF3NO2S
Molecular Weight:
304.0843
IUPAC Name:
2-bromo-4-(trifluoromethylsulfonyl)aniline
InChI:
InChI=1S/C7H5BrF3NO2S/c8-5-3-4(1-2-6(5)12)15(13,14)7(9,10)11/h1-3H,12H2
InChI Key:
LPXDXOWAAJJLOT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1Br)S(=O)(=O)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:
302.918g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
304.081g/mol
Monoisotopic Mass:
302.918g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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