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90002-86-1 molecular structure
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4-chloro-6-methyl-2-propylpyrimidine

ChemBase ID: 307267
Molecular Formular: C8H11ClN2
Molecular Mass: 170.63934
Monoisotopic Mass: 170.06107604
SMILES and InChIs

SMILES:
n1c(cc(nc1CCC)C)Cl
Canonical SMILES:
CCCc1nc(C)cc(n1)Cl
InChI:
InChI=1S/C8H11ClN2/c1-3-4-8-10-6(2)5-7(9)11-8/h5H,3-4H2,1-2H3
InChIKey:
AIPSHVWZBOQGON-UHFFFAOYSA-N

Cite this record

CBID:307267 http://www.chembase.cn/molecule-307267.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6-methyl-2-propylpyrimidine
IUPAC Traditional name
4-chloro-6-methyl-2-propylpyrimidine
Synonyms
4-chloro-6-methyl-2-propylpyrimidine
CAS Number
90002-86-1
MDL Number
MFCD08753339

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4013311 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.680969  LogD (pH = 7.4) 2.6822314 
Log P 2.6822476  Molar Refractivity 47.0322 cm3
Polarizability 17.690472 Å3 Polar Surface Area 25.78 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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