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119264-59-4 | 1,1'-Biphenyl, 2,2',3,3',4,4',6,6'-octabromo-
CAS No: 119264-59-4 Catalog No: AG000IHC MDL No:
Product Description
Catalog Number:
AG000IHC
Chemical Name:
1,1'-Biphenyl, 2,2',3,3',4,4',6,6'-octabromo-
CAS Number:
119264-59-4
Molecular Formula:
C12H2Br8
Molecular Weight:
785.3763
IUPAC Name:
1,2,3,5-tetrabromo-4-(2,3,4,6-tetrabromophenyl)benzene
InChI:
InChI=1S/C12H2Br8/c13-3-1-5(15)9(17)11(19)7(3)8-4(14)2-6(16)10(18)12(8)20/h1-2H
InChI Key:
TUXCLUQAWBNRIW-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1c1c(Br)cc(c(c1Br)Br)Br)Br)Br
UNII:
M53982K0HE
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
785.354g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
785.38g/mol
Monoisotopic Mass:
777.362g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.1
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