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32022-41-6 molecular structure
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2-(3,4-dichlorophenoxy)acetohydrazide

ChemBase ID: 27177
Molecular Formular: C8H8Cl2N2O2
Molecular Mass: 235.06732
Monoisotopic Mass: 233.99628287
SMILES and InChIs

SMILES:
C(=O)(NN)COc1cc(c(cc1)Cl)Cl
Canonical SMILES:
NNC(=O)COc1ccc(c(c1)Cl)Cl
InChI:
InChI=1S/C8H8Cl2N2O2/c9-6-2-1-5(3-7(6)10)14-4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
InChIKey:
ZJNOLANCJVKMLD-UHFFFAOYSA-N

Cite this record

CBID:27177 http://www.chembase.cn/molecule-27177.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dichlorophenoxy)acetohydrazide
IUPAC Traditional name
2-(3,4-dichlorophenoxy)acetohydrazide
Synonyms
2-(3,4-Dichlorophenoxy)acetohydrazide
CAS Number
32022-41-6
MDL Number
MFCD03419405
PubChem SID
160990484
PubChem CID
4582894

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4582894 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.516143  H Acceptors
H Donor LogD (pH = 5.5) 1.3967888 
LogD (pH = 7.4) 1.397563  Log P 1.3982289 
Molar Refractivity 54.5217 cm3 Polarizability 21.215036 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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