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420-99-5 molecular structure
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1,2-dichloro-2-fluoropropane

ChemBase ID: 109183
Molecular Formular: C3H5Cl2F
Molecular Mass: 130.9762032
Monoisotopic Mass: 129.97523374
SMILES and InChIs

SMILES:
CC(F)(Cl)CCl
Canonical SMILES:
ClCC(Cl)(F)C
InChI:
InChI=1S/C3H5Cl2F/c1-3(5,6)2-4/h2H2,1H3
InChIKey:
OTKOPXLUNRNYCD-UHFFFAOYSA-N

Cite this record

CBID:109183 http://www.chembase.cn/molecule-109183.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-dichloro-2-fluoropropane
IUPAC Traditional name
1,2-dichloro-2-fluoropropane
Synonyms
1,2-DICHLORO-2-FLUOROPROPANE
CAS Number
420-99-5
PubChem SID
162095140
PubChem CID
101669

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05210134 external link Add to cart Please log in.
Data Source Data ID
PubChem 101669 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9838405  LogD (pH = 7.4) 1.9838405 
Log P 1.9838405  Molar Refractivity 25.813 cm3
Polarizability 9.880981 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 - 05210134 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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