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136776-26-6 | Ethanone, 1-(10H-phenothiazin-10-yl)-2-(2,4,6-tribromophenoxy)-
CAS No: 136776-26-6 Catalog No: AG0012BX MDL No:
Product Description
Catalog Number:
AG0012BX
Chemical Name:
Ethanone, 1-(10H-phenothiazin-10-yl)-2-(2,4,6-tribromophenoxy)-
CAS Number:
136776-26-6
Molecular Formula:
C20H12Br3NO2S
Molecular Weight:
570.0918
IUPAC Name:
1-phenothiazin-10-yl-2-(2,4,6-tribromophenoxy)ethanone
InChI:
InChI=1S/C20H12Br3NO2S/c21-12-9-13(22)20(14(23)10-12)26-11-19(25)24-15-5-1-3-7-17(15)27-18-8-4-2-6-16(18)24/h1-10H,11H2
InChI Key:
USEVHDSTHVJRQX-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)Br)OCC(=O)N1c2ccccc2Sc2c1cccc2
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.812g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
570.093g/mol
Monoisotopic Mass:
566.814g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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