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19899-78-6 | Phenoxathiin, 2,8-dichloro-, 10,10-dioxide
CAS No: 19899-78-6 Catalog No: AG002BUY MDL No:
Product Description
Catalog Number:
AG002BUY
Chemical Name:
Phenoxathiin, 2,8-dichloro-, 10,10-dioxide
CAS Number:
19899-78-6
Molecular Formula:
C12H6Cl2O3S
Molecular Weight:
301.1452
IUPAC Name:
2,8-dichlorophenoxathiine 10,10-dioxide
InChI:
InChI=1S/C12H6Cl2O3S/c13-7-1-3-9-11(5-7)18(15,16)12-6-8(14)2-4-10(12)17-9/h1-6H
InChI Key:
QVUGDDKKWRUEKG-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)S(=O)(=O)c1c(O2)ccc(c1)Cl
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.941g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.137g/mol
Monoisotopic Mass:
299.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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