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Home > Nitro Compounds > 20110-52-5
20110-52-5 | 1,3,2-Benzodioxathiole, 5-nitro-, 2,2-dioxide
CAS No: 20110-52-5 Catalog No: AG002D6U MDL No:
Product Description
Catalog Number:
AG002D6U
Chemical Name:
1,3,2-Benzodioxathiole, 5-nitro-, 2,2-dioxide
CAS Number:
20110-52-5
Molecular Formula:
C6H3NO6S
Molecular Weight:
217.1561
IUPAC Name:
5-nitro-1,3,2λ6-benzodioxathiole 2,2-dioxide
InChI:
InChI=1S/C6H3NO6S/c8-7(9)4-1-2-5-6(3-4)13-14(10,11)12-5/h1-3H
InChI Key:
AQVMFDGPADINCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OS(=O)(=O)O2
NSC Number:
121597
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.968g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.151g/mol
Monoisotopic Mass:
216.968g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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