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368869-96-9 molecular structure
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3-(4-bromophenoxy)-6-methylpyridazine

ChemBase ID: 80716
Molecular Formular: C11H9BrN2O
Molecular Mass: 265.10596
Monoisotopic Mass: 263.98982492
SMILES and InChIs

SMILES:
n1nc(ccc1Oc1ccc(cc1)Br)C
Canonical SMILES:
Brc1ccc(cc1)Oc1ccc(nn1)C
InChI:
InChI=1S/C11H9BrN2O/c1-8-2-7-11(14-13-8)15-10-5-3-9(12)4-6-10/h2-7H,1H3
InChIKey:
LZEJOINDIKGWQJ-UHFFFAOYSA-N

Cite this record

CBID:80716 http://www.chembase.cn/molecule-80716.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-bromophenoxy)-6-methylpyridazine
IUPAC Traditional name
3-(4-bromophenoxy)-6-methylpyridazine
Synonyms
3-(4-Bromophenoxy)-6-methylpyridazine
CAS Number
368869-96-9
MDL Number
MFCD03086135
PubChem SID
162067836
PubChem CID
2776522

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2776522 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.7705758  LogD (pH = 7.4) 2.7706697 
Log P 2.770671  Molar Refractivity 62.533 cm3
Polarizability 23.429638 Å3 Polar Surface Area 35.01 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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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