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256412-89-2 molecular structure
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2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide

ChemBase ID: 172796
Molecular Formular: C23H18ClFN2O4
Molecular Mass: 440.8514232
Monoisotopic Mass: 440.09391297
SMILES and InChIs

SMILES:
c1c(ccc(c1)OC(C(=O)N(c1c(cccc1)F)C)C)Oc1oc2c(n1)ccc(c2)Cl
Canonical SMILES:
Clc1ccc2c(c1)oc(n2)Oc1ccc(cc1)OC(C(=O)N(c1ccccc1F)C)C
InChI:
InChI=1S/C23H18ClFN2O4/c1-14(22(28)27(2)20-6-4-3-5-18(20)25)29-16-8-10-17(11-9-16)30-23-26-19-12-7-15(24)13-21(19)31-23/h3-14H,1-2H3
InChIKey:
ADDQHLREJDZPMT-UHFFFAOYSA-N

Cite this record

CBID:172796 http://www.chembase.cn/molecule-172796.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide
IUPAC Traditional name
2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide
Synonyms
2-[4-[(6-Chloro-2-benzoxazolyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide
Metamifop 90%
CAS Number
256412-89-2
PubChem SID
164228706
PubChem CID
59558935

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M258745 external link Add to cart
PubChem 59558935 external link
Data Source Data ID Price
TRC
M258745 external link Add to cart Please log in.
Data Source Data ID
PubChem 59558935 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.245083  H Acceptors
H Donor LogD (pH = 5.5) 5.4385934 
LogD (pH = 7.4) 5.438593  Log P 5.4385934 
Molar Refractivity 111.8933 cm3 Polarizability 44.54309 Å3
Polar Surface Area 64.8 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Chloroform, DMSO, Methanol expand Show data source
Melting Point
77-81°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M258745 external link
An aryloxyphenoxypropionate (AOPP) post-emergence herbicide that shows an exclusive whole plant safety to rice with a high control efficacy to annual grass weeds, especially barnyardgrass.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Doroh, M.C. et al.: Weed Technol., 26, 97 (2011)
  • • Zeng, Z. et al.: Nongyao, 43, 327 (2011)
  • • Kim, T.J. et al.: Cong. Proc. BCPC Int. Cong. Crop Sci. Technol., 2, 833 (2011)
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PATENTS

PATENTS

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INTERNET

INTERNET

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