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MFCD09801071 molecular structure
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8-bromonon-8-enenitrile

ChemBase ID: 73674
Molecular Formular: C9H14BrN
Molecular Mass: 216.11816
Monoisotopic Mass: 215.03096145
SMILES and InChIs

SMILES:
N#CCCCCCCC(=C)Br
Canonical SMILES:
N#CCCCCCCC(=C)Br
InChI:
InChI=1S/C9H14BrN/c1-9(10)7-5-3-2-4-6-8-11/h1-7H2
InChIKey:
KWSMBIBDQAODHU-UHFFFAOYSA-N

Cite this record

CBID:73674 http://www.chembase.cn/molecule-73674.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-bromonon-8-enenitrile
IUPAC Traditional name
8-bromonon-8-enenitrile
Synonyms
8-Bromonon-8-enenitrile 97%
MDL Number
MFCD09801071
PubChem SID
162038593
PubChem CID
24721699

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01802 external link Add to cart Please log in.
Data Source Data ID
PubChem 24721699 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1441267  LogD (pH = 7.4) 3.1441267 
Log P 3.1441267  Molar Refractivity 51.5882 cm3
Polarizability 19.58621 Å3 Polar Surface Area 23.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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