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27994-82-7 | 3-Propoxy-1,2-benzisothiazole 1,1-dioxide
CAS No: 27994-82-7 Catalog No: AG00CEFK MDL No:
Product Description
Catalog Number:
AG00CEFK
Chemical Name:
3-Propoxy-1,2-benzisothiazole 1,1-dioxide
CAS Number:
27994-82-7
IUPAC Name:
3-propoxy-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C10H11NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h3-6H,2,7H2,1H3
InChI Key:
BFFQUZMFAIKJHQ-UHFFFAOYSA-N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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