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1182709-86-9 molecular structure
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2,6-dichloro-4-fluorobenzaldehyde

ChemBase ID: 289613
Molecular Formular: C7H3Cl2FO
Molecular Mass: 193.0025232
Monoisotopic Mass: 191.9544983
SMILES and InChIs

SMILES:
Fc1cc(Cl)c(C=O)c(Cl)c1
Canonical SMILES:
O=Cc1c(Cl)cc(cc1Cl)F
InChI:
InChI=1S/C7H3Cl2FO/c8-6-1-4(10)2-7(9)5(6)3-11/h1-3H
InChIKey:
UOQMGQYMDHYXTB-UHFFFAOYSA-N

Cite this record

CBID:289613 http://www.chembase.cn/molecule-289613.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dichloro-4-fluorobenzaldehyde
IUPAC Traditional name
2,6-dichloro-4-fluorobenzaldehyde
Synonyms
2,6-Dichloro-4-fluorobenzaldehyde
CAS Number
1182709-86-9
PubChem SID
180675144
PubChem CID
53440603

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 53440603 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0365396  LogD (pH = 7.4) 3.0365396 
Log P 3.0365396  Molar Refractivity 42.468 cm3
Polarizability 15.859304 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
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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