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255375-90-7 molecular structure
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5-fluorobenzene-1,3-dicarbaldehyde

ChemBase ID: 286872
Molecular Formular: C8H5FO2
Molecular Mass: 152.1225032
Monoisotopic Mass: 152.02735762
SMILES and InChIs

SMILES:
Fc1cc(C=O)cc(C=O)c1
Canonical SMILES:
O=Cc1cc(C=O)cc(c1)F
InChI:
InChI=1S/C8H5FO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-5H
InChIKey:
QCQALMWFLWVAHO-UHFFFAOYSA-N

Cite this record

CBID:286872 http://www.chembase.cn/molecule-286872.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluorobenzene-1,3-dicarbaldehyde
IUPAC Traditional name
5-fluorobenzene-1,3-dicarbaldehyde
Synonyms
5-Fluoroisophthalaldehyde
CAS Number
255375-90-7
PubChem SID
180672403
PubChem CID
10534848

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD104087 Please log in.
Data Source Data ID
PubChem 10534848 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5409524  LogD (pH = 7.4) 1.5409524 
Log P 1.5409524  Molar Refractivity 39.4424 cm3
Polarizability 13.848332 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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