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MFCD00671867 molecular structure
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2-chloronon-1-ene

ChemBase ID: 73716
Molecular Formular: C9H17Cl
Molecular Mass: 160.68428
Monoisotopic Mass: 160.10187822
SMILES and InChIs

SMILES:
ClC(=C)CCCCCCC
Canonical SMILES:
CCCCCCCC(=C)Cl
InChI:
InChI=1S/C9H17Cl/c1-3-4-5-6-7-8-9(2)10/h2-8H2,1H3
InChIKey:
LFXZYKAMIOLQOZ-UHFFFAOYSA-N

Cite this record

CBID:73716 http://www.chembase.cn/molecule-73716.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloronon-1-ene
IUPAC Traditional name
2-chloronon-1-ene
Synonyms
2-Chloronon-1-ene
MDL Number
MFCD00671867
PubChem SID
162038635
PubChem CID
12469122

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01839 external link Add to cart Please log in.
Data Source Data ID
PubChem 12469122 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2417116  LogD (pH = 7.4) 4.2417116 
Log P 4.2417116  Molar Refractivity 48.1255 cm3
Polarizability 18.893288 Å3 Polar Surface Area 0.0 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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