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433935-99-0 molecular structure
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4-bromo-6-chloro-3-phenylpyridazine

ChemBase ID: 45179
Molecular Formular: C10H6BrClN2
Molecular Mass: 269.52504
Monoisotopic Mass: 267.94028788
SMILES and InChIs

SMILES:
n1c(c(cc(n1)Cl)Br)c1ccccc1
Canonical SMILES:
Clc1nnc(c(c1)Br)c1ccccc1
InChI:
InChI=1S/C10H6BrClN2/c11-8-6-9(12)13-14-10(8)7-4-2-1-3-5-7/h1-6H
InChIKey:
UCPHOSBKNXETOZ-UHFFFAOYSA-N

Cite this record

CBID:45179 http://www.chembase.cn/molecule-45179.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-6-chloro-3-phenylpyridazine
IUPAC Traditional name
4-bromo-6-chloro-3-phenylpyridazine
Synonyms
4-Bromo-6-chloro-3-phenylpyridazine
CAS Number
433935-99-0
MDL Number
MFCD13193081
PubChem SID
162049942
PubChem CID
11346243

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11346243 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.401853  LogD (pH = 7.4) 3.4018536 
Log P 3.4018536  Molar Refractivity 62.0175 cm3
Polarizability 24.185837 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
84 - 86 °C expand Show data source
84-86°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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