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98273-19-9 molecular structure
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methyl 4,6-dichloropyridine-2-carboxylate

ChemBase ID: 70173
Molecular Formular: C7H5Cl2NO2
Molecular Mass: 206.0261
Monoisotopic Mass: 204.96973377
SMILES and InChIs

SMILES:
c1(cc(cc(n1)Cl)Cl)C(=O)OC
Canonical SMILES:
COC(=O)c1cc(Cl)cc(n1)Cl
InChI:
InChI=1S/C7H5Cl2NO2/c1-12-7(11)5-2-4(8)3-6(9)10-5/h2-3H,1H3
InChIKey:
MXHPWLMQTZILLL-UHFFFAOYSA-N

Cite this record

CBID:70173 http://www.chembase.cn/molecule-70173.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 4,6-dichloropyridine-2-carboxylate
IUPAC Traditional name
methyl 4,6-dichloropyridine-2-carboxylate
Synonyms
2,4-Dichloro-6-(methoxycarbonyl)pyridine
Methyl 4,6-dichloropicolinate
Methyl 4,6-dichloropyridine-2-carboxylate
Methyl 4,6-dichloropicolinate
CAS Number
98273-19-9
MDL Number
MFCD12965121
PubChem SID
162035897
PubChem CID
18922464

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3731673  LogD (pH = 7.4) 2.3731673 
Log P 2.3731673  Molar Refractivity 46.2253 cm3
Polarizability 17.830847 Å3 Polar Surface Area 39.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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