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1602692-91-0 | 2-(1H-imidazol-1-yl)ethane-1-sulfonyl chloride
CAS No: 1602692-91-0 Catalog No: AG01B3PE MDL No:MFCD26521387
Product Description
Catalog Number:
AG01B3PE
Chemical Name:
2-(1H-imidazol-1-yl)ethane-1-sulfonyl chloride
CAS Number:
1602692-91-0
Molecular Formula:
C5H7ClN2O2S
Molecular Weight:
194.6393
MDL Number:
MFCD26521387
IUPAC Name:
2-imidazol-1-ylethanesulfonyl chloride
InChI:
InChI=1S/C5H7ClN2O2S/c6-11(9,10)4-3-8-2-1-7-5-8/h1-2,5H,3-4H2
InChI Key:
BSEZCJRXTZNQBL-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)CCn1cncc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.992g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.633g/mol
Monoisotopic Mass:
193.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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