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13472-84-9 molecular structure
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3-chloro-2-methoxypyridine

ChemBase ID: 92137
Molecular Formular: C6H6ClNO
Molecular Mass: 143.57094
Monoisotopic Mass: 143.0137915
SMILES and InChIs

SMILES:
n1c(c(ccc1)Cl)OC
Canonical SMILES:
COc1ncccc1Cl
InChI:
InChI=1S/C6H6ClNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKey:
MSICGKUDCSUMJZ-UHFFFAOYSA-N

Cite this record

CBID:92137 http://www.chembase.cn/molecule-92137.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-chloro-2-methoxypyridine
IUPAC Traditional name
3-chloro-2-methoxypyridine
Synonyms
3-Chloro-2-methoxypyridine
3-Chloro-2-methoxypyridine 98%
3-Chloro-2-methoxypyridine
3-氯-2-甲氧基吡啶
CAS Number
13472-84-9
MDL Number
MFCD03095227
PubChem SID
162078835
PubChem CID
13295749

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.796376  LogD (pH = 7.4) 1.796404 
Log P 1.7964044  Molar Refractivity 35.4826 cm3
Polarizability 13.882471 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
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
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-P501A expand Show data source
Purity
95% expand Show data source
95+% 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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