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942473-81-6 | N-(2-Bromoethyl)-4-trifluoromethyl benzenesulfonamide
CAS No: 942473-81-6 Catalog No: AG01F2CM MDL No:MFCD09475466
Product Description
Catalog Number:
AG01F2CM
Chemical Name:
N-(2-Bromoethyl)-4-trifluoromethyl benzenesulfonamide
CAS Number:
942473-81-6
Molecular Formula:
C9H9BrF3NO2S
Molecular Weight:
332.1375
MDL Number:
MFCD09475466
IUPAC Name:
N-(2-bromoethyl)-4-(trifluoromethyl)benzenesulfonamide
InChI:
InChI=1S/C9H9BrF3NO2S/c10-5-6-14-17(15,16)8-3-1-7(2-4-8)9(11,12)13/h1-4,14H,5-6H2
InChI Key:
JZHDCDSPBURCHF-UHFFFAOYSA-N
SMILES:
BrCCNS(=O)(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.949g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.135g/mol
Monoisotopic Mass:
330.949g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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