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1526-17-6 molecular structure
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2-fluoro-6-nitrophenol

ChemBase ID: 13692
Molecular Formular: C6H4FNO3
Molecular Mass: 157.0992632
Monoisotopic Mass: 157.01752121
SMILES and InChIs

SMILES:
c1ccc(c(c1[N+](=O)[O-])O)F
Canonical SMILES:
[O-][N+](=O)c1cccc(c1O)F
InChI:
InChI=1S/C6H4FNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H
InChIKey:
HIGRXCJEFUYRNW-UHFFFAOYSA-N

Cite this record

CBID:13692 http://www.chembase.cn/molecule-13692.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-6-nitrophenol
IUPAC Traditional name
2-fluoro-6-nitrophenol
Synonyms
2-Fluoro-6-nitrophenol
3-Fluoro-2-hydroxynitrobenzene
2-Fluoro-6-nitrophenol 98%
2-Fluoro-6-nitrophenol
6-Fluoro-2-nitrophenol
2-氟-6-硝基苯酚
CAS Number
1526-17-6
EC Number
216-199-4
MDL Number
MFCD00042446
Beilstein Number
1870307
PubChem SID
160976999
PubChem CID
73710

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.822462  H Acceptors
H Donor LogD (pH = 5.5) 1.5855912 
LogD (pH = 7.4) 0.31568676  Log P 1.7523667 
Molar Refractivity 34.5758 cm3 Polarizability 12.691076 Å3
Polar Surface Area 63.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
91-94°C expand Show data source
92-94°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source
Purity
98% expand Show data source
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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