Home > Compound List > Compound details
303085-53-2 molecular structure
click picture or here to close

6-chloropyridazine-3-carbaldehyde

ChemBase ID: 88406
Molecular Formular: C5H3ClN2O
Molecular Mass: 142.54312
Monoisotopic Mass: 141.99339041
SMILES and InChIs

SMILES:
n1nc(ccc1Cl)C=O
Canonical SMILES:
Clc1ccc(nn1)C=O
InChI:
InChI=1S/C5H3ClN2O/c6-5-2-1-4(3-9)7-8-5/h1-3H
InChIKey:
YDHRPQYMQCOQQT-UHFFFAOYSA-N

Cite this record

CBID:88406 http://www.chembase.cn/molecule-88406.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloropyridazine-3-carbaldehyde
IUPAC Traditional name
6-chloropyridazine-3-carbaldehyde
Synonyms
6-Chloro-3-pyridazinecarboxaldehyde
6-Chloro-3-formylpyridazine
6-Chloropyridazine-3-carboxaldehyde
CAS Number
303085-53-2
MDL Number
MFCD10698041
PubChem SID
162075364
PubChem CID
22336267

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.98707056  LogD (pH = 7.4) 0.98707074 
Log P 0.98707074  Molar Refractivity 35.8293 cm3
Polarizability 12.4957695 Å3 Polar Surface Area 42.85 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
95+% expand Show data source
98% 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