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1573547-68-8 | (3-((Phenylsulfonyl)methyl)-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
CAS No: 1573547-68-8 Catalog No: AG01FLSW MDL No:MFCD27977465
Product Description
Catalog Number:
AG01FLSW
Chemical Name:
(3-((Phenylsulfonyl)methyl)-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
CAS Number:
1573547-68-8
Molecular Formula:
C10H12ClN3O3S
Molecular Weight:
289.7386
MDL Number:
MFCD27977465
IUPAC Name:
[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
InChI:
InChI=1S/C10H11N3O3S.ClH/c11-6-10-12-9(13-16-10)7-17(14,15)8-4-2-1-3-5-8;/h1-5H,6-7,11H2;1H
InChI Key:
OUVFMAQNQJWMPT-UHFFFAOYSA-N
SMILES:
NCc1onc(n1)CS(=O)(=O)c1ccccc1.Cl
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.734g/mol
Monoisotopic Mass:
289.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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