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1217-37-4 | Ethanone, 1-(5-oxido-10H-phenothiazin-10-yl)-
CAS No: 1217-37-4 Catalog No: AG0015LK MDL No:
Product Description
Catalog Number:
AG0015LK
Chemical Name:
Ethanone, 1-(5-oxido-10H-phenothiazin-10-yl)-
CAS Number:
1217-37-4
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
1-(5-oxophenothiazin-10-yl)ethanone
InChI:
InChI=1S/C14H11NO2S/c1-10(16)15-11-6-2-4-8-13(11)18(17)14-9-5-3-7-12(14)15/h2-9H,1H3
InChI Key:
SZLYHEJOJMRRFR-UHFFFAOYSA-N
SMILES:
CC(=O)N1c2ccccc2S(=O)c2c1cccc2
NSC Number:
1933
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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