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939759-23-6 molecular structure
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2-(bromomethyl)oxetane

ChemBase ID: 63540
Molecular Formular: C4H7BrO
Molecular Mass: 151.00178
Monoisotopic Mass: 149.96802684
SMILES and InChIs

SMILES:
C1OC(C1)CBr
Canonical SMILES:
BrCC1CCO1
InChI:
InChI=1S/C4H7BrO/c5-3-4-1-2-6-4/h4H,1-3H2
InChIKey:
OMXAGUVERXNCSZ-UHFFFAOYSA-N

Cite this record

CBID:63540 http://www.chembase.cn/molecule-63540.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(bromomethyl)oxetane
IUPAC Traditional name
2-(bromomethyl)oxetane
Synonyms
2-(Bromomethyl)oxetane
CAS Number
939759-23-6
MDL Number
MFCD08544405
PubChem SID
162029279
PubChem CID
16244494

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
068858 external link Add to cart Please log in.
Data Source Data ID
PubChem 16244494 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9227364  LogD (pH = 7.4) 0.9227364 
Log P 0.9227364  Molar Refractivity 27.9059 cm3
Polarizability 10.965285 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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