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951884-84-7 | 3-Bromo-N-(furan-2-ylmethyl);-5-(trifluoromethyl);benzenesulfonamide
CAS No: 951884-84-7 Catalog No: AG003J4L MDL No:MFCD09801006
Product Description
Catalog Number:
AG003J4L
Chemical Name:
3-Bromo-N-(furan-2-ylmethyl);-5-(trifluoromethyl);benzenesulfonamide
CAS Number:
951884-84-7
Molecular Formula:
C12H9BrF3NO3S
Molecular Weight:
384.1690
MDL Number:
MFCD09801006
IUPAC Name:
3-bromo-N-(furan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
InChI:
InChI=1S/C12H9BrF3NO3S/c13-9-4-8(12(14,15)16)5-11(6-9)21(18,19)17-7-10-2-1-3-20-10/h1-6,17H,7H2
InChI Key:
HRTRAIORACJKEV-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1)C(F)(F)F)S(=O)(=O)NCc1ccco1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.944g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.167g/mol
Monoisotopic Mass:
382.944g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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