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32804-07-2 molecular structure
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2-chloro-3-fluoroprop-1-ene

ChemBase ID: 93677
Molecular Formular: C3H4ClF
Molecular Mass: 94.5152632
Monoisotopic Mass: 93.99855603
SMILES and InChIs

SMILES:
ClC(=C)CF
Canonical SMILES:
FCC(=C)Cl
InChI:
InChI=1S/C3H4ClF/c1-3(4)2-5/h1-2H2
InChIKey:
ZYVSNYBYAYMMQV-UHFFFAOYSA-N

Cite this record

CBID:93677 http://www.chembase.cn/molecule-93677.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-3-fluoroprop-1-ene
IUPAC Traditional name
2-chloro-3-fluoroprop-1-ene
Synonyms
2-Chloro-3-fluoroprop-1-ene
CAS Number
32804-07-2
MDL Number
MFCD07784208
PubChem SID
162080362
PubChem CID
44717193

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 44717193 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3405277  LogD (pH = 7.4) 1.3405277 
Log P 1.3405277  Molar Refractivity 20.4481 cm3
Polarizability 7.663556 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
43-44°C expand Show data source
Density
1.1 expand Show data source
Storage Warning
Flammable expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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