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Home > Imidazoles > 1955557-93-3
1955557-93-3 | 2-(1H-imidazol-1-yl)ethane-1-sulfonyl chloride hydrochloride
CAS No: 1955557-93-3 Catalog No: AG01B5PB MDL No:MFCD30181180
Product Description
Catalog Number:
AG01B5PB
Chemical Name:
2-(1H-imidazol-1-yl)ethane-1-sulfonyl chloride hydrochloride
CAS Number:
1955557-93-3
Molecular Formula:
C5H8Cl2N2O2S
Molecular Weight:
231.1002
MDL Number:
MFCD30181180
IUPAC Name:
2-imidazol-1-ylethanesulfonyl chloride;hydrochloride
InChI:
InChI=1S/C5H7ClN2O2S.ClH/c6-11(9,10)4-3-8-2-1-7-5-8;/h1-2,5H,3-4H2;1H
InChI Key:
LYKDUFWVFGBVDG-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)CCn1cncc1.Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.968g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.091g/mol
Monoisotopic Mass:
229.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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