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1556-09-8 molecular structure
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bromocyclooctane

ChemBase ID: 295968
Molecular Formular: C8H15Br
Molecular Mass: 191.1087
Monoisotopic Mass: 190.03571248
SMILES and InChIs

SMILES:
C1CCCC(CCC1)Br
Canonical SMILES:
BrC1CCCCCCC1
InChI:
InChI=1S/C8H15Br/c9-8-6-4-2-1-3-5-7-8/h8H,1-7H2
InChIKey:
KFKLBMQLKLKHLU-UHFFFAOYSA-N

Cite this record

CBID:295968 http://www.chembase.cn/molecule-295968.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bromocyclooctane
IUPAC Traditional name
bromocyclooctane
Synonyms
Cyclooctyl bromide
Bromocyclooctane
溴代环辛烷
CAS Number
1556-09-8
EC Number
216-310-6
MDL Number
MFCD00039603
Beilstein Number
1901417
PubChem SID
180681499
PubChem CID
73783

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 73783 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.709918  LogD (pH = 7.4) 3.709918 
Log P 3.709918  Molar Refractivity 44.512 cm3
Polarizability 17.389957 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
102-103°C/18mm expand Show data source
Refractive Index
1.5120 expand Show data source
TSCA Listed
expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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