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67851-46-1 | 1,2-Benzisothiazole, 3-(1-propenyloxy)-, 1,1-dioxide
CAS No: 67851-46-1 Catalog No: AG0062XW MDL No:
Product Description
Catalog Number:
AG0062XW
Chemical Name:
1,2-Benzisothiazole, 3-(1-propenyloxy)-, 1,1-dioxide
CAS Number:
67851-46-1
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
3-prop-1-enoxy-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-7H,1H3
InChI Key:
OUQBHAQSXBWYQW-UHFFFAOYSA-N
SMILES:
CC=COC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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