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101-55-3 | Benzene, 1-bromo-4-phenoxy-
CAS No: 101-55-3 Catalog No: AG0003G7 MDL No:MFCD00000094
Product Description
Catalog Number:
AG0003G7
Chemical Name:
Benzene, 1-bromo-4-phenoxy-
CAS Number:
101-55-3
Molecular Formula:
C12H9BrO
Molecular Weight:
249.1033
MDL Number:
MFCD00000094
IUPAC Name:
1-bromo-4-phenoxybenzene
InChI:
InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChI Key:
JDUYPUMQALQRCN-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Oc1ccccc1
EC Number:
202-952-4
UNII:
N19SE3QCFN
NSC Number:
5619
UN Number:
3082
Properties
Complexity:
158
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:
4.4
Literature
| Title | Journal |
|---|---|
| Biphenyl and ethylbenzene dioxygenases of Rhodococcus jostii RHA1 transform PBDEs. | Biotechnology and bioengineering 20110201 |
| Photodegradation of 2,2',4,4'-tetrabromodiphenyl ether in nonionic surfactant solutions. | Chemosphere 20081101 |
| Synthesis and evaluation of a novel fluorescent photoprobe for imaging matrix metalloproteinases. | Bioconjugate chemistry 20080501 |
| Different reaction mechanisms of diphenylether and 4-bromodiphenylether with nitrous acid in the 355 nm laser flash photolysis of mixed aqueous solution. | Chemosphere 20080401 |
| Effects of fluoro substitution on 4-bromodiphenyl ether (PBDE 3). | Acta crystallographica. Section B, Structural science 20080201 |
| Antifouling activity of sponge-derived polybrominated diphenyl ethers and synthetic analogues. | Biofouling 20080101 |
| Gas-phase reactions of brominated diphenyl ethers with OH radicals. | The journal of physical chemistry. A 20060921 |
| Screening the oxidative potential of several mono- and di-halogenated biphenyls and biphenyl ethers in rat hepatocytes. | Combinatorial chemistry & high throughput screening 20060701 |
| Synthesis of new aliphatic and aromatic phytotoxic derivatives of 2alpha,4alpha-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one. | Pest management science 20030901 |
| Anaerobic microbial and photochemical degradation of 4,4'-dibromodiphenyl ether. | Water research 20030201 |
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