Home Sulfos {[3-bromo-2-(2-methanesulfonylethoxy)phenyl]methyl}(methyl)amine hydrochloride

{[3-bromo-2-(2-methanesulfonylethoxy)phenyl]methyl}(methyl)amine hydrochloride

CAS No.:
1797840-18-6
Catalog Number:
AG01B180
Molecular Formula:
C11H17BrClNO3S
Molecular Weight:
358.6796
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Product Description
Catalog Number:
AG01B180
Chemical Name:
{[3-bromo-2-(2-methanesulfonylethoxy)phenyl]methyl}(methyl)amine hydrochloride
CAS Number:
1797840-18-6
Molecular Formula:
C11H17BrClNO3S
Molecular Weight:
358.6796
MDL Number:
MFCD27959495
IUPAC Name:
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine;hydrochloride
InChI:
InChI=1S/C11H16BrNO3S.ClH/c1-13-8-9-4-3-5-10(12)11(9)16-6-7-17(2,14)15;/h3-5,13H,6-8H2,1-2H3;1H
InChI Key:
GRVVLSZXPFXMNJ-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1OCCS(=O)(=O)C)Br.Cl
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.98g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
358.675g/mol
Monoisotopic Mass:
356.98g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties