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19666-30-9 molecular structure
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5-tert-butyl-3-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-one

ChemBase ID: 158325
Molecular Formular: C15H18Cl2N2O3
Molecular Mass: 345.22102
Monoisotopic Mass: 344.06944781
SMILES and InChIs

SMILES:
CC(C)Oc1cc(c(cc1Cl)Cl)n1c(=O)oc(n1)C(C)(C)C
Canonical SMILES:
CC(Oc1cc(c(cc1Cl)Cl)n1nc(oc1=O)C(C)(C)C)C
InChI:
InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
InChIKey:
CHNUNORXWHYHNE-UHFFFAOYSA-N

Cite this record

CBID:158325 http://www.chembase.cn/molecule-158325.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-tert-butyl-3-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-one
IUPAC Traditional name
oxadiazon
Synonyms
3-[2,4-Dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-1,3,4-oxadiazolin-5-one
Oxadiazon
2-tert-Butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-5-oxo-1,3,4-oxadiazoline
Foresite
Kensogen Ti
Oxadiazone
RP 17623
Ronstar
Oxadiazon
噁草酮
CAS Number
19666-30-9
EC Number
243-215-7
MDL Number
MFCD00128056
Beilstein Number
558070
PubChem SID
162252461
24860186
24867987
PubChem CID
29732

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 29732 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3124075  LogD (pH = 7.4) 5.3124075 
Log P 5.3124075  Molar Refractivity 84.8327 cm3
Polarizability 33.32649 Å3 Polar Surface Area 51.13 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
RO0874000 expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
50/53 expand Show data source
Safety Statements
60-61 expand Show data source
GHS Pictograms
GHS09 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H410 expand Show data source
GHS Precautionary statements
P273-P501 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Gloves expand Show data source
Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Grade
analytical standard expand Show data source
PESTANAL®, analytical standard expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 100 mg expand Show data source
Empirical Formula (Hill Notation)
C15H18Cl2N2O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 33382 external link
Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH
Toronto Research Chemicals - O758510 external link
A commonly used herbicide/pesticide.

REFERENCES

REFERENCES

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  • • Ait-Aissa, S., et al.: Toxicol., 24, 1979 (2010)
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PATENTS

PATENTS

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INTERNET

INTERNET

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