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138039-10-8 | 1-Propanone, 2-(2,4-dibromophenoxy)-1-(10H-phenothiazin-10-yl)-
CAS No: 138039-10-8 Catalog No: AG0017VX MDL No:
Product Description
Catalog Number:
AG0017VX
Chemical Name:
1-Propanone, 2-(2,4-dibromophenoxy)-1-(10H-phenothiazin-10-yl)-
CAS Number:
138039-10-8
Molecular Formula:
C21H15Br2NO2S
Molecular Weight:
505.2223
IUPAC Name:
2-(2,4-dibromophenoxy)-1-phenothiazin-10-ylpropan-1-one
InChI:
InChI=1S/C21H15Br2NO2S/c1-13(26-18-11-10-14(22)12-15(18)23)21(25)24-16-6-2-4-8-19(16)27-20-9-5-3-7-17(20)24/h2-13H,1H3
InChI Key:
NXTSFOKDPXSKJQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)Br)OC(C(=O)N1c2ccccc2Sc2c1cccc2)C
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.917g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
505.224g/mol
Monoisotopic Mass:
502.919g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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