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460-71-9 molecular structure
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(1E)-1-chloro-1,3,3,3-tetrafluoroprop-1-ene

ChemBase ID: 15257
Molecular Formular: C3HClF4
Molecular Mass: 148.4866528
Monoisotopic Mass: 147.97029059
SMILES and InChIs

SMILES:
C(=C\C(F)(F)F)(\F)/Cl
Canonical SMILES:
F/C(=C\C(F)(F)F)/Cl
InChI:
InChI=1S/C3HClF4/c4-2(5)1-3(6,7)8/h1H/b2-1-
InChIKey:
PNWJILFKWURCIR-UPHRSURJSA-N

Cite this record

CBID:15257 http://www.chembase.cn/molecule-15257.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1E)-1-chloro-1,3,3,3-tetrafluoroprop-1-ene
IUPAC Traditional name
(1E)-1-chloro-1,3,3,3-tetrafluoroprop-1-ene
Synonyms
1-Chloro-1,3,3,3-tetrafluoropropene
CAS Number
460-71-9
MDL Number
MFCD04038011
PubChem SID
160978564
PubChem CID
6508916

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
012840 external link Add to cart Please log in.
Data Source Data ID
PubChem 6508916 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3246102  LogD (pH = 7.4) 2.3246102 
Log P 2.3246102  Molar Refractivity 32.3464 cm3
Polarizability 7.7557583 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
19°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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