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63155-10-2 molecular structure
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ethyl 2-(4,6-dichloropyrimidin-2-yl)acetate

ChemBase ID: 288644
Molecular Formular: C8H8Cl2N2O2
Molecular Mass: 235.06732
Monoisotopic Mass: 233.99628287
SMILES and InChIs

SMILES:
CCOC(=O)Cc1nc(Cl)cc(Cl)n1
Canonical SMILES:
CCOC(=O)Cc1nc(Cl)cc(n1)Cl
InChI:
InChI=1S/C8H8Cl2N2O2/c1-2-14-8(13)4-7-11-5(9)3-6(10)12-7/h3H,2,4H2,1H3
InChIKey:
BVWJBJVHLJIVST-UHFFFAOYSA-N

Cite this record

CBID:288644 http://www.chembase.cn/molecule-288644.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(4,6-dichloropyrimidin-2-yl)acetate
IUPAC Traditional name
ethyl 2-(4,6-dichloropyrimidin-2-yl)acetate
Synonyms
Ethyl 2-(4,6-dichloropyrimidin-2-yl)acetate
CAS Number
63155-10-2
MDL Number
MFCD18633154
PubChem SID
180674175
PubChem CID
12367104

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD210735 Please log in.
Data Source Data ID
PubChem 12367104 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.251268  H Acceptors
H Donor LogD (pH = 5.5) 2.538025 
LogD (pH = 7.4) 2.538025  Log P 2.538025 
Molar Refractivity 54.9407 cm3 Polarizability 20.719345 Å3
Polar Surface Area 52.08 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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