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18963-26-3 | 1,2-Benzisothiazole, 3-ethoxy-2,3-dihydro-2-methyl-3-phenyl-, 1,1-dioxide
CAS No: 18963-26-3 Catalog No: AG002DTS MDL No:
Product Description
Catalog Number:
AG002DTS
Chemical Name:
1,2-Benzisothiazole, 3-ethoxy-2,3-dihydro-2-methyl-3-phenyl-, 1,1-dioxide
CAS Number:
18963-26-3
Molecular Formula:
C16H17NO3S
Molecular Weight:
303.3761
IUPAC Name:
3-ethoxy-2-methyl-3-phenyl-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C16H17NO3S/c1-3-20-16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)21(18,19)17(16)2/h4-12H,3H2,1-2H3
InChI Key:
WSDAYLUWMKTDQO-UHFFFAOYSA-N
SMILES:
CCOC1(c2ccccc2)c2ccccc2S(=O)(=O)N1C
NSC Number:
110413
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.376g/mol
Monoisotopic Mass:
303.093g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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