Home Halogens 10H-Phenothiazine, 3,7-dibromo-10-(2-ethylhexyl)-

10H-Phenothiazine, 3,7-dibromo-10-(2-ethylhexyl)-

CAS No.:
264263-98-1
Catalog Number:
AG002T5Z
Molecular Formula:
C20H23Br2NS
Molecular Weight:
469.2763
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Product Description
Catalog Number:
AG002T5Z
Chemical Name:
10H-Phenothiazine, 3,7-dibromo-10-(2-ethylhexyl)-
CAS Number:
264263-98-1
Molecular Formula:
C20H23Br2NS
Molecular Weight:
469.2763
IUPAC Name:
3,7-dibromo-10-(2-ethylhexyl)phenothiazine
InChI:
InChI=1S/C20H23Br2NS/c1-3-5-6-14(4-2)13-23-17-9-7-15(21)11-19(17)24-20-12-16(22)8-10-18(20)23/h7-12,14H,3-6,13H2,1-2H3
InChI Key:
BKMNQLRBGNJKPI-UHFFFAOYSA-N
SMILES:
CCCCC(CN1c2ccc(cc2Sc2c1ccc(c2)Br)Br)CC
Properties
Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.99g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.279g/mol
Monoisotopic Mass:
466.992g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
28.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3  
Properties