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Home > Bromides > 1020252-98-5
1020252-98-5 | Benzenesulfonamide, 4-bromo-N-(3-methoxypropyl)-3-(trifluoromethyl)-
CAS No: 1020252-98-5 Catalog No: AG0006DK MDL No:MFCD09972154
Product Description
Catalog Number:
AG0006DK
Chemical Name:
Benzenesulfonamide, 4-bromo-N-(3-methoxypropyl)-3-(trifluoromethyl)-
CAS Number:
1020252-98-5
Molecular Formula:
C11H13BrF3NO3S
Molecular Weight:
376.1900
MDL Number:
MFCD09972154
IUPAC Name:
4-bromo-N-(3-methoxypropyl)-3-(trifluoromethyl)benzenesulfonamide
InChI:
InChI=1S/C11H13BrF3NO3S/c1-19-6-2-5-16-20(17,18)8-3-4-10(12)9(7-8)11(13,14)15/h3-4,7,16H,2,5-6H2,1H3
InChI Key:
PPPXHLZRJSLAJM-UHFFFAOYSA-N
SMILES:
COCCCNS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.975g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.188g/mol
Monoisotopic Mass:
374.975g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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