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Home > Nitro Compounds > 132636-65-8
132636-65-8 | 1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide
CAS No: 132636-65-8 Catalog No: AG0010XH MDL No:
Product Description
Catalog Number:
AG0010XH
Chemical Name:
1,2-Benzisothiazole, 3-(4-nitrophenoxy)-, 1,1-dioxide
CAS Number:
132636-65-8
Molecular Formula:
C13H8N2O5S
Molecular Weight:
304.2780
IUPAC Name:
3-(4-nitrophenoxy)-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C13H8N2O5S/c16-15(17)9-5-7-10(8-6-9)20-13-11-3-1-2-4-12(11)21(18,19)14-13/h1-8H
InChI Key:
SATYGHGPOCYZFX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.015g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.276g/mol
Monoisotopic Mass:
304.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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