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51421-99-9 molecular structure
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4-chloro-2-methoxypyrimidine

ChemBase ID: 69043
Molecular Formular: C5H5ClN2O
Molecular Mass: 144.559
Monoisotopic Mass: 144.00904047
SMILES and InChIs

SMILES:
c1(nc(ccn1)Cl)OC
Canonical SMILES:
COc1nc(Cl)ccn1
InChI:
InChI=1S/C5H5ClN2O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChIKey:
XCAMEGPUILTZSU-UHFFFAOYSA-N

Cite this record

CBID:69043 http://www.chembase.cn/molecule-69043.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-methoxypyrimidine
IUPAC Traditional name
4-chloro-2-methoxypyrimidine
Synonyms
4-Chloro-2-methoxypyrimidine
CAS Number
51421-99-9
MDL Number
MFCD09025734
PubChem SID
162034772
PubChem CID
575230

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3950622  LogD (pH = 7.4) 1.395072 
Log P 1.3950721  Molar Refractivity 34.9976 cm3
Polarizability 13.083498 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Keep Cold 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
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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