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36304-48-0 molecular structure
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2-(4-chloro-2-methylphenoxy)propanehydrazide

ChemBase ID: 25799
Molecular Formular: C10H13ClN2O2
Molecular Mass: 228.67542
Monoisotopic Mass: 228.06655535
SMILES and InChIs

SMILES:
C(=O)(C(Oc1c(cc(cc1)Cl)C)C)NN
Canonical SMILES:
NNC(=O)C(Oc1ccc(cc1C)Cl)C
InChI:
InChI=1S/C10H13ClN2O2/c1-6-5-8(11)3-4-9(6)15-7(2)10(14)13-12/h3-5,7H,12H2,1-2H3,(H,13,14)
InChIKey:
JSWSUAXAZWIIAT-UHFFFAOYSA-N

Cite this record

CBID:25799 http://www.chembase.cn/molecule-25799.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-chloro-2-methylphenoxy)propanehydrazide
IUPAC Traditional name
2-(4-chloro-2-methylphenoxy)propanehydrazide
Synonyms
2-(4-Chloro-2-methylphenoxy)propanohydrazide
CAS Number
36304-48-0
MDL Number
MFCD01248816
PubChem SID
160989106
PubChem CID
3746548

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3746548 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.507414  H Acceptors
H Donor LogD (pH = 5.5) 1.8749708 
LogD (pH = 7.4) 1.8763071  Log P 1.8763698 
Molar Refractivity 59.252 cm3 Polarizability 22.824116 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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