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84108-98-5 | 3-Methyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide
CAS No: 84108-98-5 Catalog No: AG003FIY MDL No:MFCD19442797
Product Description
Catalog Number:
AG003FIY
Chemical Name:
3-Methyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide
CAS Number:
84108-98-5
Molecular Formula:
C8H9NO2S
Molecular Weight:
183.2276
MDL Number:
MFCD19442797
IUPAC Name:
3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C8H9NO2S/c1-6-7-4-2-3-5-8(7)12(10,11)9-6/h2-6,9H,1H3
InChI Key:
WZOKMILQIPCVQJ-UHFFFAOYSA-N
SMILES:
CC1NS(=O)(=O)c2c1cccc2
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.225g/mol
Monoisotopic Mass:
183.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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