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848366-28-9 molecular structure
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5-bromo-3-chloro-2-methoxypyridine

ChemBase ID: 68962
Molecular Formular: C6H5BrClNO
Molecular Mass: 222.467
Monoisotopic Mass: 220.92430347
SMILES and InChIs

SMILES:
c1(c(cc(cn1)Br)Cl)OC
Canonical SMILES:
COc1ncc(cc1Cl)Br
InChI:
InChI=1S/C6H5BrClNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChIKey:
XCHXNAQRMMXBGN-UHFFFAOYSA-N

Cite this record

CBID:68962 http://www.chembase.cn/molecule-68962.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-3-chloro-2-methoxypyridine
IUPAC Traditional name
5-bromo-3-chloro-2-methoxypyridine
Synonyms
5-Bromo-3-chloro-2-methoxypyridine
5-Bromo-3-chloro-2-methoxypyridine
5-溴-3-氯-2-甲氧基吡啶
CAS Number
848366-28-9
MDL Number
MFCD04972382
PubChem SID
162034692
PubChem CID
40427004

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5651565  LogD (pH = 7.4) 2.565157 
Log P 2.565157  Molar Refractivity 43.1054 cm3
Polarizability 16.880527 Å3 Polar Surface Area 22.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
95+% expand Show data source
96% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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