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56894-20-3 molecular structure
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1-(2-chloroethyl)-2-methyl-1H-imidazole

ChemBase ID: 308131
Molecular Formular: C6H9ClN2
Molecular Mass: 144.60206
Monoisotopic Mass: 144.04542598
SMILES and InChIs

SMILES:
n1(c(ncc1)C)CCCl
Canonical SMILES:
Cc1nccn1CCCl
InChI:
InChI=1S/C6H9ClN2/c1-6-8-3-5-9(6)4-2-7/h3,5H,2,4H2,1H3
InChIKey:
PIYNTNXOGGKWDR-UHFFFAOYSA-N

Cite this record

CBID:308131 http://www.chembase.cn/molecule-308131.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-chloroethyl)-2-methyl-1H-imidazole
IUPAC Traditional name
1-(2-chloroethyl)-2-methylimidazole
Synonyms
1-(2-chloroethyl)-2-methyl-1H-imidazole
CAS Number
56894-20-3
MDL Number
MFCD09971268

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.14579198  LogD (pH = 7.4) 0.624332 
Log P 0.86600643  Molar Refractivity 37.6935 cm3
Polarizability 14.3513 Å3 Polar Surface Area 17.82 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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