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23505-21-7 molecular structure
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2,6-dichloro-N'-hydroxybenzene-1-carboximidamide

ChemBase ID: 86407
Molecular Formular: C7H6Cl2N2O
Molecular Mass: 205.04134
Monoisotopic Mass: 203.98571818
SMILES and InChIs

SMILES:
N(=C(\c1c(cccc1Cl)Cl)/N)/O
Canonical SMILES:
O/N=C(/c1c(Cl)cccc1Cl)\N
InChI:
InChI=1S/C7H6Cl2N2O/c8-4-2-1-3-5(9)6(4)7(10)11-12/h1-3,12H,(H2,10,11)
InChIKey:
MULRGOOZFNLPFF-UHFFFAOYSA-N

Cite this record

CBID:86407 http://www.chembase.cn/molecule-86407.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloro-N'-hydroxybenzene-1-carboximidamide
(Z)-2,6-dichloro-N'-hydroxybenzene-1-carboximidamide
IUPAC Traditional name
2,6-dichloro-N'-hydroxybenzenecarboximidamide
(Z)-2,6-dichloro-N'-hydroxybenzene-1-carboximidamide
Synonyms
2,6-dichloro-N'-hydroxybenzenecarboximidamide
CAS Number
23505-21-7
MDL Number
MFCD00221076
PubChem SID
162073523
PubChem CID
6338079

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6338079 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.626205  H Acceptors
H Donor LogD (pH = 5.5) 2.0976555 
LogD (pH = 7.4) 2.073643  Log P 2.0986218 
Molar Refractivity 48.6898 cm3 Polarizability 18.570084 Å3
Polar Surface Area 58.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.45 expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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