Home > Compound List > Compound details
56843-28-8 molecular structure
click picture or here to close

N-[(2,4-dichlorophenyl)methylidene]hydroxylamine

ChemBase ID: 86607
Molecular Formular: C7H5Cl2NO
Molecular Mass: 190.0267
Monoisotopic Mass: 188.97481915
SMILES and InChIs

SMILES:
N(=C\c1ccc(cc1Cl)Cl)/O
Canonical SMILES:
O/N=C/c1ccc(cc1Cl)Cl
InChI:
InChI=1S/C7H5Cl2NO/c8-6-2-1-5(4-10-11)7(9)3-6/h1-4,11H
InChIKey:
ONJQBRVMFRQQIG-UHFFFAOYSA-N

Cite this record

CBID:86607 http://www.chembase.cn/molecule-86607.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2,4-dichlorophenyl)methylidene]hydroxylamine
(E)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine
IUPAC Traditional name
N-[(2,4-dichlorophenyl)methylidene]hydroxylamine
(E)-N-[(2,4-dichlorophenyl)methylidene]hydroxylamine
Synonyms
2,4-Dichlorobenzaldehyde oxime
2,4-Dichlorobenzaldoxime
2,4-dichlorobenzaldehyde oxime
CAS Number
56843-28-8
MDL Number
MFCD00173694
PubChem SID
162073723
PubChem CID
6434542

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6434542 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.065626  H Acceptors
H Donor LogD (pH = 5.5) 2.8917103 
LogD (pH = 7.4) 2.4076092  Log P 2.9033172 
Molar Refractivity 46.0733 cm3 Polarizability 17.394829 Å3
Polar Surface Area 32.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle