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828266-36-0 | Ethanone, 2-methoxy-1-(10H-phenothiazin-10-yl)-
CAS No: 828266-36-0 Catalog No: AG004SYF MDL No:
Product Description
Catalog Number:
AG004SYF
Chemical Name:
Ethanone, 2-methoxy-1-(10H-phenothiazin-10-yl)-
CAS Number:
828266-36-0
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
2-methoxy-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C15H13NO2S/c1-18-10-15(17)16-11-6-2-4-8-13(11)19-14-9-5-3-7-12(14)16/h2-9H,10H2,1H3
InChI Key:
NWVGIMLTTGOOCE-UHFFFAOYSA-N
SMILES:
COCC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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