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43002-22-8 molecular structure
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2,4-dichloro-6-methanehydrazonoylphenol

ChemBase ID: 86788
Molecular Formular: C7H6Cl2N2O
Molecular Mass: 205.04134
Monoisotopic Mass: 203.98571818
SMILES and InChIs

SMILES:
N(=C\c1c(c(cc(c1)Cl)Cl)O)/N
Canonical SMILES:
N/N=C/c1cc(Cl)cc(c1O)Cl
InChI:
InChI=1S/C7H6Cl2N2O/c8-5-1-4(3-11-10)7(12)6(9)2-5/h1-3,12H,10H2
InChIKey:
MFGATNXEAQDBJY-UHFFFAOYSA-N

Cite this record

CBID:86788 http://www.chembase.cn/molecule-86788.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-6-methanehydrazonoylphenol
IUPAC Traditional name
2,4-dichloro-6-methanehydrazonoylphenol
Synonyms
3,5-Dichloro-2-hydroxybenzaldehyde hydrazone
CAS Number
43002-22-8
MDL Number
MFCD00221441
PubChem SID
162073904
PubChem CID
5375728

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR29958 external link Add to cart Please log in.
Data Source Data ID
PubChem 5375728 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.762961  H Acceptors
H Donor LogD (pH = 5.5) 2.2834733 
LogD (pH = 7.4) 1.593942  Log P 2.306458 
Molar Refractivity 50.7737 cm3 Polarizability 18.754238 Å3
Polar Surface Area 58.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
149-150°C expand Show data source
Storage Warning
Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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