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66549-15-3 molecular structure
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3-chloro-6-(2-chlorophenyl)pyridazine

ChemBase ID: 77529
Molecular Formular: C10H6Cl2N2
Molecular Mass: 225.07404
Monoisotopic Mass: 223.99080356
SMILES and InChIs

SMILES:
n1nc(ccc1c1c(cccc1)Cl)Cl
Canonical SMILES:
Clc1ccc(nn1)c1ccccc1Cl
InChI:
InChI=1S/C10H6Cl2N2/c11-8-4-2-1-3-7(8)9-5-6-10(12)14-13-9/h1-6H
InChIKey:
UTCVANDFQGNDKQ-UHFFFAOYSA-N

Cite this record

CBID:77529 http://www.chembase.cn/molecule-77529.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-6-(2-chlorophenyl)pyridazine
IUPAC Traditional name
3-chloro-6-(2-chlorophenyl)pyridazine
Synonyms
3-Chloro-6-(2-chlorophenyl)pyridazine
CAS Number
66549-15-3
MDL Number
MFCD06801338
PubChem SID
162042401
PubChem CID
12449557

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12449557 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2371452  LogD (pH = 7.4) 3.2371457 
Log P 3.2371457  Molar Refractivity 59.1995 cm3
Polarizability 23.31424 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
145-147°C expand Show data source
Partition Coefficient
4.42 expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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