Home > Compound List > Compound details
MFCD00143498 molecular structure
click picture or here to close

6-chloro-3-phenylpyridazin-4-ol

ChemBase ID: 73933
Molecular Formular: C10H7ClN2O
Molecular Mass: 206.62838
Monoisotopic Mass: 206.02469053
SMILES and InChIs

SMILES:
n1nc(c(cc1Cl)O)c1ccccc1
Canonical SMILES:
Clc1nnc(c(c1)O)c1ccccc1
InChI:
InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)
InChIKey:
ZUSHSDOEVHPTCU-UHFFFAOYSA-N

Cite this record

CBID:73933 http://www.chembase.cn/molecule-73933.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-3-phenylpyridazin-4-ol
IUPAC Traditional name
6-chloro-3-phenylpyridazin-4-ol
Synonyms
6-Chloro-3-phenylpyridazin-4-ol
6-Chloro-4-hydroxy-3-phenylpyridazine
MDL Number
MFCD00143498
PubChem SID
162038852
PubChem CID
92316

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR0289 external link Add to cart Please log in.
Data Source Data ID
PubChem 92316 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.300742  H Acceptors
H Donor LogD (pH = 5.5) 2.3294473 
LogD (pH = 7.4) 2.3242326  Log P 2.3295357 
Molar Refractivity 56.3756 cm3 Polarizability 22.04478 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
218-220°C expand Show data source
Storage Warning
Irritant 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