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6299-85-0 molecular structure
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methyl 2,6-dichloropyrimidine-4-carboxylate

ChemBase ID: 10090
Molecular Formular: C6H4Cl2N2O2
Molecular Mass: 207.01416
Monoisotopic Mass: 205.96498274
SMILES and InChIs

SMILES:
c1c(nc(nc1Cl)Cl)C(=O)OC
Canonical SMILES:
COC(=O)c1cc(Cl)nc(n1)Cl
InChI:
InChI=1S/C6H4Cl2N2O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3
InChIKey:
DQNQNLWKAGZNIT-UHFFFAOYSA-N

Cite this record

CBID:10090 http://www.chembase.cn/molecule-10090.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2,6-dichloropyrimidine-4-carboxylate
IUPAC Traditional name
methyl 2,6-dichloropyrimidine-4-carboxylate
Synonyms
Methyl 2,4-dichloropyrimidine-6-carboxylate
2,4-Dichloro-6-(methoxycarbonyl)pyrimidine
Methyl 2,4-dichloropyrimidine-6-carboxylate 99%
CAS Number
6299-85-0
MDL Number
MFCD01941317
PubChem SID
160973397
PubChem CID
239689

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9718349  LogD (pH = 7.4) 1.9718349 
Log P 1.9718349  Molar Refractivity 45.7403 cm3
Polarizability 17.148602 Å3 Polar Surface Area 52.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
54-56°C expand Show data source
Storage Warning
Irritant expand Show data source
IRRITANT, AVOID SKIN CONTACT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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