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663171-12-8 molecular structure
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2-bromo-1-ethyl-1H-imidazole

ChemBase ID: 309574
Molecular Formular: C5H7BrN2
Molecular Mass: 175.02648
Monoisotopic Mass: 173.97926023
SMILES and InChIs

SMILES:
c1(n(ccn1)CC)Br
Canonical SMILES:
CCn1ccnc1Br
InChI:
InChI=1S/C5H7BrN2/c1-2-8-4-3-7-5(8)6/h3-4H,2H2,1H3
InChIKey:
KRTIATFLKKNABS-UHFFFAOYSA-N

Cite this record

CBID:309574 http://www.chembase.cn/molecule-309574.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-1-ethyl-1H-imidazole
IUPAC Traditional name
2-bromo-1-ethylimidazole
Synonyms
2-bromo-1-ethyl-1H-imidazole
CAS Number
663171-12-8
MDL Number
MFCD16687638

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.4552239  LogD (pH = 7.4) 1.4987372 
Log P 1.499327  Molar Refractivity 36.2829 cm3
Polarizability 13.7523155 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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