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240800-48-0 molecular structure
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2,3,5-trifluorobenzoyl chloride

ChemBase ID: 8173
Molecular Formular: C7H2ClF3O
Molecular Mass: 194.5383896
Monoisotopic Mass: 193.97462702
SMILES and InChIs

SMILES:
c1(cc(c(c(c1)C(=O)Cl)F)F)F
Canonical SMILES:
Fc1cc(F)c(c(c1)C(=O)Cl)F
InChI:
InChI=1S/C7H2ClF3O/c8-7(12)4-1-3(9)2-5(10)6(4)11/h1-2H
InChIKey:
QTIPHWWHHRFTNO-UHFFFAOYSA-N

Cite this record

CBID:8173 http://www.chembase.cn/molecule-8173.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3,5-trifluorobenzoyl chloride
IUPAC Traditional name
2,3,5-trifluorobenzoyl chloride
Synonyms
2,3,5-Trifluorobenzoyl chloride
2,3,5-Trifluorobenzoyl chloride 98%
CAS Number
240800-48-0
MDL Number
MFCD00083541
PubChem SID
160971480
PubChem CID
2777017

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2777017 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5922642  LogD (pH = 7.4) 2.5922642 
Log P 2.5922642  Molar Refractivity 37.8219 cm3
Polarizability 13.601383 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Corrosive/Lachrymatory expand Show data source
LACHRYMATOR, CORROSIVE expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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