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103438-86-4 molecular structure
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2-fluoro-3-hydroxybenzaldehyde

ChemBase ID: 815560
Molecular Formular: C7H5FO2
Molecular Mass: 140.1118032
Monoisotopic Mass: 140.02735762
SMILES and InChIs

SMILES:
c1(c(c(ccc1)O)F)C=O
Canonical SMILES:
O=Cc1cccc(c1F)O
InChI:
InChI=1S/C7H5FO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H
InChIKey:
JHPNLGYUKQTWHN-UHFFFAOYSA-N

Cite this record

CBID:815560 http://www.chembase.cn/molecule-815560.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-3-hydroxybenzaldehyde
IUPAC Traditional name
2-fluoro-3-hydroxybenzaldehyde
Synonyms
2-fluoro-3-hydroxybenzaldehyde
CAS Number
103438-86-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37890 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37890 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.983868  H Acceptors
H Donor LogD (pH = 5.5) 1.5234733 
LogD (pH = 7.4) 1.4251828  Log P 1.5248848 
Molar Refractivity 34.8393 cm3 Polarizability 12.571677 Å3
Polar Surface Area 37.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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