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54128-01-7 molecular structure
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4-chloro-5-ethylpyrimidine

ChemBase ID: 802688
Molecular Formular: C6H7ClN2
Molecular Mass: 142.58618
Monoisotopic Mass: 142.02977591
SMILES and InChIs

SMILES:
c1(c(ncnc1)Cl)CC
Canonical SMILES:
CCc1cncnc1Cl
InChI:
InChI=1S/C6H7ClN2/c1-2-5-3-8-4-9-6(5)7/h3-4H,2H2,1H3
InChIKey:
ZZMJUBGNHBJUAM-UHFFFAOYSA-N

Cite this record

CBID:802688 http://www.chembase.cn/molecule-802688.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-5-ethylpyrimidine
IUPAC Traditional name
4-chloro-5-ethylpyrimidine
Synonyms
4-CHLORO-5-ETHYLPYRIMIDINE
CAS Number
54128-01-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19187 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O19187 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8319176  LogD (pH = 7.4) 1.831947 
Log P 1.8319473  Molar Refractivity 38.2306 cm3
Polarizability 14.098256 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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