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116565-92-5 | [1,4]Dioxino[2,3-g]benzothiazole (9CI)
CAS No: 116565-92-5 Catalog No: AG000CS2 MDL No:
Product Description
Catalog Number:
AG000CS2
Chemical Name:
[1,4]Dioxino[2,3-g]benzothiazole (9CI)
CAS Number:
116565-92-5
Molecular Formula:
C9H5NO2S
Molecular Weight:
191.2065
IUPAC Name:
[1,4]dioxino[2,3-g][1,3]benzothiazole
InChI:
InChI=1S/C9H5NO2S/c1-2-7-8(12-4-3-11-7)9-6(1)10-5-13-9/h1-5H
InChI Key:
MQUYHNNJRXUVGV-UHFFFAOYSA-N
SMILES:
O1C=COc2c1c1scnc1cc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.204g/mol
Monoisotopic Mass:
191.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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