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703-33-3 molecular structure
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5,8-dichloropyrido[2,3-d]pyridazine

ChemBase ID: 288679
Molecular Formular: C7H3Cl2N3
Molecular Mass: 200.02482
Monoisotopic Mass: 198.97040247
SMILES and InChIs

SMILES:
Clc1nnc(Cl)c2c1cccn2
Canonical SMILES:
Clc1nnc(c2c1nccc2)Cl
InChI:
InChI=1S/C7H3Cl2N3/c8-6-4-2-1-3-10-5(4)7(9)12-11-6/h1-3H
InChIKey:
QNGKPMNRSDSBMD-UHFFFAOYSA-N

Cite this record

CBID:288679 http://www.chembase.cn/molecule-288679.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5,8-dichloropyrido[2,3-d]pyridazine
IUPAC Traditional name
5,8-dichloropyrido[2,3-d]pyridazine
Synonyms
5,8-Dichloropyrido[2,3-d]pyridazine
CAS Number
703-33-3
MDL Number
MFCD00193165
PubChem SID
180674210
PubChem CID
279915

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD211335 Please log in.
Data Source Data ID
PubChem 279915 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5818897  LogD (pH = 7.4) 1.5819017 
Log P 1.5819018  Molar Refractivity 49.4179 cm3
Polarizability 19.121635 Å3 Polar Surface Area 38.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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