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915922-20-2 molecular structure
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1-(2-bromoethoxy)-2-ethylbenzene

ChemBase ID: 311104
Molecular Formular: C10H13BrO
Molecular Mass: 229.11362
Monoisotopic Mass: 228.01497704
SMILES and InChIs

SMILES:
c1(c(CC)cccc1)OCCBr
Canonical SMILES:
BrCCOc1ccccc1CC
InChI:
InChI=1S/C10H13BrO/c1-2-9-5-3-4-6-10(9)12-8-7-11/h3-6H,2,7-8H2,1H3
InChIKey:
JQVODOXKKSBTOL-UHFFFAOYSA-N

Cite this record

CBID:311104 http://www.chembase.cn/molecule-311104.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-bromoethoxy)-2-ethylbenzene
IUPAC Traditional name
1-(2-bromoethoxy)-2-ethylbenzene
Synonyms
1-(2-bromoethoxy)-2-ethylbenzene
CAS Number
915922-20-2
MDL Number
MFCD02030511

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6235497  LogD (pH = 7.4) 3.6235497 
Log P 3.6235497  Molar Refractivity 54.4902 cm3
Polarizability 20.940275 Å3 Polar Surface Area 9.23 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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