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136776-25-5 | Ethanone, 2-(2,4-dibromophenoxy)-1-(10H-phenothiazin-10-yl)-
CAS No: 136776-25-5 Catalog No: AG0012BY MDL No:
Product Description
Catalog Number:
AG0012BY
Chemical Name:
Ethanone, 2-(2,4-dibromophenoxy)-1-(10H-phenothiazin-10-yl)-
CAS Number:
136776-25-5
Molecular Formula:
C20H13Br2NO2S
Molecular Weight:
491.1957
IUPAC Name:
2-(2,4-dibromophenoxy)-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C20H13Br2NO2S/c21-13-9-10-17(14(22)11-13)25-12-20(24)23-15-5-1-3-7-18(15)26-19-8-4-2-6-16(19)23/h1-11H,12H2
InChI Key:
ASAZVFQWHRPLOJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Br)OCC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.901g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.197g/mol
Monoisotopic Mass:
488.903g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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