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15448-92-7 | 1,2-Benzisothiazole, 2,3-dihydro-2-methyl-3-phenyl-, 1,1-dioxide
CAS No: 15448-92-7 Catalog No: AG007XHW MDL No:
Product Description
Catalog Number:
AG007XHW
Chemical Name:
1,2-Benzisothiazole, 2,3-dihydro-2-methyl-3-phenyl-, 1,1-dioxide
CAS Number:
15448-92-7
Molecular Formula:
C14H13NO2S
Molecular Weight:
259.3235
IUPAC Name:
2-methyl-3-phenyl-3H-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C14H13NO2S/c1-15-14(11-7-3-2-4-8-11)12-9-5-6-10-13(12)18(15,16)17/h2-10,14H,1H3
InChI Key:
LWNGSEVTQKWXCT-UHFFFAOYSA-N
SMILES:
CN1C(c2ccccc2)c2c(S1(=O)=O)cccc2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.323g/mol
Monoisotopic Mass:
259.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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