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1689-99-2 | Octanoic acid, 2,6-dibromo-4-cyanophenyl ester
CAS No: 1689-99-2 Catalog No: AG001YDZ MDL No:MFCD00055484
Product Description
Catalog Number:
AG001YDZ
Chemical Name:
Octanoic acid, 2,6-dibromo-4-cyanophenyl ester
CAS Number:
1689-99-2
Molecular Formula:
C15H17Br2NO2
Molecular Weight:
403.1090
MDL Number:
MFCD00055484
IUPAC Name:
(2,6-dibromo-4-cyanophenyl) octanoate
InChI:
InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3
InChI Key:
DQKWXTIYGWPGOO-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1c(Br)cc(cc1Br)C#N
EC Number:
216-885-3
UNII:
9HL5XAW9SK
UN Number:
2588
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.961g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.114g/mol
Monoisotopic Mass:
400.963g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Use of a potentiometric vital dye to determine the effect of the herbicide bromoxynil octanoate on mitochondrial bioenenergetics in Chlamydomonas reinhardtii. | Pest management science 20120401 |
| Degradation of bromoxynil octanoate by strain Acinetobacter sp. XB2 isolated from contaminated soil. | Current microbiology 20110801 |
| Inhibition of connexin 43 gap junction channels by the endocrine disruptor ioxynil. | Toxicology and applied pharmacology 20100815 |
| Determination of bromoxynil octanoate in soil and corn by GC with electron capture and mass spectrometry detection under field conditions. | Journal of AOAC International 20090101 |
| Household vacuum cleaners vs. the high-volume surface sampler for collection of carpet dust samples in epidemiologic studies of children. | Environmental health : a global access science source 20080101 |
| Short- and long-term response of sunflower to airborne bromoxynil-octanoate under controlled and field conditions. | Ecotoxicology (London, England) 20050701 |
| Effect of airborne bromoxynil-octanoate and metribuzin on non-target plants. | Environmental pollution (Barking, Essex : 1987) 20030101 |
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