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6876-00-2 | 1-Bromo-3-phenoxybenzene
CAS No: 6876-00-2 Catalog No: AG003J4B MDL No:MFCD00474520
Product Description
Catalog Number:
AG003J4B
Chemical Name:
1-Bromo-3-phenoxybenzene
CAS Number:
6876-00-2
Molecular Formula:
C12H9BrO
Molecular Weight:
249.1033
MDL Number:
MFCD00474520
IUPAC Name:
1-bromo-3-phenoxybenzene
InChI:
InChI=1S/C12H9BrO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9H
InChI Key:
AHDAKFFMKLQPTD-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)Oc1ccccc1
UNII:
3W9N49713J
NSC Number:
57095
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.984g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.107g/mol
Monoisotopic Mass:
247.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Characterization of the molecular degradation mechanism of diphenyl ethers by Cupriavidus sp. WS. | Environmental science and pollution research international 20151101 |
| Gas-phase reactions of brominated diphenyl ethers with OH radicals. | The journal of physical chemistry. A 20060921 |
| A gas chromatography/high-resolution mass spectrometry (GC/HRMS) method for determination of polybrominated diphenyl ethers in fish. | Chemosphere 20010901 |
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