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225242-15-9 | [1,4]Dioxino[2,3-f]benzothiazole-2-carbonitrile
CAS No: 225242-15-9 Catalog No: AG007ODT MDL No:
Product Description
Catalog Number:
AG007ODT
Chemical Name:
[1,4]Dioxino[2,3-f]benzothiazole-2-carbonitrile
CAS Number:
225242-15-9
Molecular Formula:
C10H4N2O2S
Molecular Weight:
216.2160
IUPAC Name:
[1,4]dioxino[2,3-f][1,3]benzothiazole-2-carbonitrile
InChI:
InChI=1S/C10H4N2O2S/c11-5-10-12-6-3-7-8(4-9(6)15-10)14-2-1-13-7/h1-4H
InChI Key:
XVXGUQJZXIGORR-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(s1)cc1c(c2)OC=CO1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.214g/mol
Monoisotopic Mass:
215.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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