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71387-69-4 | 2H-1,4-Benzothiazin-3(4H)-one,7-ethoxy-
CAS No: 71387-69-4 Catalog No: AG005IZ2 MDL No:MFCD00570564
Product Description
Catalog Number:
AG005IZ2
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one,7-ethoxy-
CAS Number:
71387-69-4
Molecular Formula:
C10H11NO2S
Molecular Weight:
209.2648
MDL Number:
MFCD00570564
IUPAC Name:
7-ethoxy-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C10H11NO2S/c1-2-13-7-3-4-8-9(5-7)14-6-10(12)11-8/h3-5H,2,6H2,1H3,(H,11,12)
InChI Key:
UYUUNYNVHRTORT-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)SCC(=O)N2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.263g/mol
Monoisotopic Mass:
209.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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