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23521-49-5 molecular structure
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1-bromo-2-ethoxyethene

ChemBase ID: 75040
Molecular Formular: C4H7BrO
Molecular Mass: 151.00178
Monoisotopic Mass: 149.96802684
SMILES and InChIs

SMILES:
O(/C=C/Br)CC
Canonical SMILES:
CCO/C=C/Br
InChI:
InChI=1S/C4H7BrO/c1-2-6-4-3-5/h3-4H,2H2,1H3
InChIKey:
BCFCTTHZFYZOHT-UHFFFAOYSA-N

Cite this record

CBID:75040 http://www.chembase.cn/molecule-75040.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-2-ethoxyethene
IUPAC Traditional name
1-bromo-2-ethoxyethene
Synonyms
(Z)-1-Bromo-2-ethoxyethene
cis-2-Ethoxyvinyl bromide
cis-1-Bromo-2-ethoxyethylene
CAS Number
23521-49-5
MDL Number
MFCD00042604
PubChem SID
162039958
PubChem CID
6304964

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR10832 external link Add to cart Please log in.
Data Source Data ID
PubChem 6304964 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4679372  LogD (pH = 7.4) 1.4679372 
Log P 1.4679372  Molar Refractivity 29.0729 cm3
Polarizability 11.396104 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
139-142°C expand Show data source
Flash Point
52°C expand Show data source
Density
1.42 expand Show data source
Storage Warning
Flammable/Harmful expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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