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2804-49-1 molecular structure
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1-chloro-1,2,3,3,3-pentafluoroprop-1-ene

ChemBase ID: 99873
Molecular Formular: C3ClF5
Molecular Mass: 166.477116
Monoisotopic Mass: 165.96086878
SMILES and InChIs

SMILES:
Cl/C(=C(/C(F)(F)F)\F)/F
Canonical SMILES:
F/C(=C(\C(F)(F)F)/F)/Cl
InChI:
InChI=1S/C3ClF5/c4-2(6)1(5)3(7,8)9
InChIKey:
NJLPMHLSZDVUMV-UHFFFAOYSA-N

Cite this record

CBID:99873 http://www.chembase.cn/molecule-99873.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-chloro-1,2,3,3,3-pentafluoroprop-1-ene
IUPAC Traditional name
1-chloro-1,2,3,3,3-pentafluoroprop-1-ene
Synonyms
1-Chloro-1,2,3,3,3-pentafluoroprop-1-ene
CAS Number
2804-49-1
MDL Number
MFCD09998196
PubChem SID
162086120
PubChem CID
13717712

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 13717712 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1000304  LogD (pH = 7.4) 2.1000304 
Log P 2.1000304  Molar Refractivity 32.4742 cm3
Polarizability 7.886394 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
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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