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115245-09-5 | 1,1'-Biphenyl, 2,3,4,5-tetrabromo-
CAS No: 115245-09-5 Catalog No: AG000GIL MDL No:
Product Description
Catalog Number:
AG000GIL
Chemical Name:
1,1'-Biphenyl, 2,3,4,5-tetrabromo-
CAS Number:
115245-09-5
Molecular Formula:
C12H6Br4
Molecular Weight:
469.7920
IUPAC Name:
1,2,3,4-tetrabromo-5-phenylbenzene
InChI:
InChI=1S/C12H6Br4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H
InChI Key:
NYSAPLQZKHQBSO-UHFFFAOYSA-N
SMILES:
Brc1cc(c2ccccc2)c(c(c1Br)Br)Br
UNII:
97YB0ZCA5F
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.716g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.796g/mol
Monoisotopic Mass:
465.72g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Literature
| Title | Journal |
|---|---|
| Simultaneous determination by APCI-LC/MS/MS of hydroxylated and methoxylated polybrominated diphenyl ethers found in marine biota. | Analytical chemistry 20090715 |
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