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Home > Imidazoles > 1823895-21-1
1823895-21-1 | 2-(Azetidine-3-sulfonyl)-1-methyl-1H-imidazole hydrochloride
CAS No: 1823895-21-1 Catalog No: AG01AT25 MDL No:MFCD26792965
Product Description
Catalog Number:
AG01AT25
Chemical Name:
2-(Azetidine-3-sulfonyl)-1-methyl-1H-imidazole hydrochloride
CAS Number:
1823895-21-1
Molecular Formula:
C7H12ClN3O2S
Molecular Weight:
237.7071
MDL Number:
MFCD26792965
IUPAC Name:
2-(azetidin-3-ylsulfonyl)-1-methylimidazole;hydrochloride
InChI:
InChI=1S/C7H11N3O2S.ClH/c1-10-3-2-9-7(10)13(11,12)6-4-8-5-6;/h2-3,6,8H,4-5H2,1H3;1H
InChI Key:
JBQNRYJJZOVVNN-UHFFFAOYSA-N
SMILES:
Cn1ccnc1S(=O)(=O)C1CNC1.Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.702g/mol
Monoisotopic Mass:
237.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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