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89453-13-4 | 1,1':2',1''-Terphenyl, undecabromo-
CAS No: 89453-13-4 Catalog No: AG0042N3 MDL No:
Product Description
Catalog Number:
AG0042N3
Chemical Name:
1,1':2',1''-Terphenyl, undecabromo-
CAS Number:
89453-13-4
Molecular Formula:
C18H3Br11
Molecular Weight:
1098.1604
IUPAC Name:
1,2,3,4,5-pentabromo-6-[2-bromo-6-(2,3,4,5,6-pentabromophenyl)phenyl]benzene
InChI:
InChI=1S/C18H3Br11/c19-5-3-1-2-4(7-9(20)13(24)17(28)14(25)10(7)21)6(5)8-11(22)15(26)18(29)16(27)12(8)23/h1-3H
InChI Key:
LMOZKLOIIKBWFB-UHFFFAOYSA-N
SMILES:
Brc1c(Br)c(Br)c(c(c1Br)c1cccc(c1c1c(Br)c(Br)c(c(c1Br)Br)Br)Br)Br
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1097.115g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1098.166g/mol
Monoisotopic Mass:
1087.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.8
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