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102739-99-1 | Benzene, 1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxy-
CAS No: 102739-99-1 Catalog No: AG00089P MDL No:
Product Description
Catalog Number:
AG00089P
Chemical Name:
Benzene, 1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxy-
CAS Number:
102739-99-1
Molecular Formula:
C13H8Br4O2
Molecular Weight:
515.8174
IUPAC Name:
1,5-dibromo-2-(2,4-dibromophenoxy)-3-methoxybenzene
InChI:
InChI=1S/C13H8Br4O2/c1-18-12-6-8(15)5-10(17)13(12)19-11-3-2-7(14)4-9(11)16/h2-6H,1H3
InChI Key:
ASWWOOJPWUMGBW-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1Oc1ccc(cc1Br)Br)Br
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.722g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
515.821g/mol
Monoisotopic Mass:
511.726g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Bioaccumulation, biotransformation, and toxicity of BDE-47, 6-OH-BDE-47, and 6-MeO-BDE-47 in early life-stages of zebrafish (Danio rerio). | Environmental science & technology 20150203 |
| Biosynthesis of polybrominated aromatic organic compounds by marine bacteria. | Nature chemical biology 20140801 |
| PBDE: structure-activity studies for the inhibition of hepatitis C virus NS3 helicase. | Molecules (Basel, Switzerland) 20140402 |
| Accumulation and biotransformation of BDE-47 by zebrafish larvae and teratogenicity and expression of genes along the hypothalamus-pituitary-thyroid axis. | Environmental science & technology 20121204 |
| Dioxin-like potency of HO- and MeO- analogues of PBDEs' the potential risk through consumption of fish from eastern China. | Environmental science & technology 20121002 |
| Interconversion of hydroxylated and methoxylated polybrominated diphenyl ethers in Japanese medaka. | Environmental science & technology 20101115 |
| Polybrominated diphenyl ethers (PBDEs), polychlorinated biphenyles (PCBs), hydroxylated and methoxylated-PBDEs, and methylsulfonyl-PCBs in bird serum from South China. | Archives of environmental contamination and toxicology 20101001 |
| Synthesis and characterization of 2,3-dibromopropyl-2,4,6-tribromophenyl ether (DPTE) and structurally related compounds evidenced in seal blubber and brain. | Environmental science & technology 20070301 |
| Determination of HBCD, PBDEs and MeO-BDEs in California sea lions (Zalophus californianus) stranded between 1993 and 2003. | Marine pollution bulletin 20060501 |
| Spectral characterization of two bioaccumulated methoxylated polybrominated diphenyl ethers. | Chemosphere 20060101 |
| Tetra- and tribromophenoxyanisoles in marine samples from Oceania. | Environmental science & technology 20051015 |
| Two abundant bioaccumulated halogenated compounds are natural products. | Science (New York, N.Y.) 20050211 |
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