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341-27-5 molecular structure
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3-fluoro-2-hydroxybenzoic acid

ChemBase ID: 7183
Molecular Formular: C7H5FO3
Molecular Mass: 156.1112032
Monoisotopic Mass: 156.02227224
SMILES and InChIs

SMILES:
c1cc(c(c(c1)C(=O)O)O)F
Canonical SMILES:
OC(=O)c1cccc(c1O)F
InChI:
InChI=1S/C7H5FO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,(H,10,11)
InChIKey:
GFHCXVJXSLGRJR-UHFFFAOYSA-N

Cite this record

CBID:7183 http://www.chembase.cn/molecule-7183.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoro-2-hydroxybenzoic acid
IUPAC Traditional name
3-fluoro-2-hydroxybenzoic acid
Synonyms
3-Fluoro-2-hydroxybenzoic acid
3-Fluorosalicylic acid
3-Fluoro-2-hydroxybenzoic acid
3-Fluorosalicylic acid
2-Carboxy-6-fluorophenol
3-氟水杨酸
CAS Number
341-27-5
EC Number
None
MDL Number
MFCD00153167
PubChem SID
160970490
PubChem CID
268724

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.469135  H Acceptors
H Donor LogD (pH = 5.5) -0.7916443 
LogD (pH = 7.4) -1.3933189  Log P 2.1199653 
Molar Refractivity 35.5115 cm3 Polarizability 13.103431 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
146-148°C expand Show data source
147-148°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
95% expand Show data source
98% expand Show data source
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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