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320-75-2 molecular structure
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2-bromo-4-fluoro-6-nitrophenol

ChemBase ID: 95014
Molecular Formular: C6H3BrFNO3
Molecular Mass: 235.9953232
Monoisotopic Mass: 234.92803318
SMILES and InChIs

SMILES:
[N+](=O)(c1cc(cc(c1O)Br)F)[O-]
Canonical SMILES:
Fc1cc(Br)c(c(c1)[N+](=O)[O-])O
InChI:
InChI=1S/C6H3BrFNO3/c7-4-1-3(8)2-5(6(4)10)9(11)12/h1-2,10H
InChIKey:
DFHGOCSWFGXYSQ-UHFFFAOYSA-N

Cite this record

CBID:95014 http://www.chembase.cn/molecule-95014.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-fluoro-6-nitrophenol
IUPAC Traditional name
2-bromo-4-fluoro-6-nitrophenol
Synonyms
2-Bromo-4-fluoro-6-nitrophenol 97%
2-bromo-4-fluoro-6-nitrophenol
CAS Number
320-75-2
MDL Number
MFCD03094182
PubChem SID
162081665
PubChem CID
2773384

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2773384 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.8484364  H Acceptors
H Donor LogD (pH = 5.5) 1.8021439 
LogD (pH = 7.4) 0.645123  Log P 2.5211194 
Molar Refractivity 43.2028 cm3 Polarizability 15.851677 Å3
Polar Surface Area 66.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
67°C expand Show data source
Hydrophobicity(logP)
2.72 expand Show data source
Storage Warning
Irritant expand Show data source
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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