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51446-30-1 molecular structure
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2-fluoro-5-hydroxybenzoic acid

ChemBase ID: 12187
Molecular Formular: C7H5FO3
Molecular Mass: 156.1112032
Monoisotopic Mass: 156.02227224
SMILES and InChIs

SMILES:
c1(ccc(c(c1)C(=O)O)F)O
Canonical SMILES:
Oc1ccc(c(c1)C(=O)O)F
InChI:
InChI=1S/C7H5FO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey:
CZNFABVUVHWEJF-UHFFFAOYSA-N

Cite this record

CBID:12187 http://www.chembase.cn/molecule-12187.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-5-hydroxybenzoic acid
IUPAC Traditional name
2-fluoro-5-hydroxybenzoic acid
Synonyms
2-Fluoro-5-hydroxybenzoic acid
3-Carboxy-4-fluorophenol
2-Fluoro-5-hydroxybenzoic acid
2-氟-5-羟基苯甲酸
CAS Number
51446-30-1
EC Number
None
MDL Number
MFCD01862084
PubChem SID
160975494
PubChem CID
2774480

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.0548105  H Acceptors
H Donor LogD (pH = 5.5) -0.94247323 
LogD (pH = 7.4) -2.0031276  Log P 1.4699653 
Molar Refractivity 35.5115 cm3 Polarizability 13.102256 Å3
Polar Surface Area 57.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
204-206°C expand Show data source
204-206°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
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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