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31025-65-7 molecular structure
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1,2-dichlorocyclopentane

ChemBase ID: 106947
Molecular Formular: C5H8Cl2
Molecular Mass: 139.02302
Monoisotopic Mass: 138.00030562
SMILES and InChIs

SMILES:
ClC1CCCC1Cl
Canonical SMILES:
ClC1CCCC1Cl
InChI:
InChI=1S/C5H8Cl2/c6-4-2-1-3-5(4)7/h4-5H,1-3H2
InChIKey:
QPIRTTQWLDPXBN-UHFFFAOYSA-N

Cite this record

CBID:106947 http://www.chembase.cn/molecule-106947.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dichlorocyclopentane
IUPAC Traditional name
1,2-dichlorocyclopentane
Synonyms
1,2-DICHLOROCYCLOPENTANE
CAS Number
31025-65-7
PubChem SID
162089100
PubChem CID
139749

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05201988 external link Add to cart Please log in.
Data Source Data ID
PubChem 139749 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4704049  LogD (pH = 7.4) 2.4704049 
Log P 2.4704049  Molar Refractivity 32.138 cm3
Polarizability 12.911371 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05201988 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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