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120103-18-6 molecular structure
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2,5-difluoro-4-nitrophenol

ChemBase ID: 99323
Molecular Formular: C6H3F2NO3
Molecular Mass: 175.0897264
Monoisotopic Mass: 175.0080994
SMILES and InChIs

SMILES:
Fc1cc(c(cc1O)F)[N+](=O)[O-]
Canonical SMILES:
Fc1cc([N+](=O)[O-])c(cc1O)F
InChI:
InChI=1S/C6H3F2NO3/c7-3-2-6(10)4(8)1-5(3)9(11)12/h1-2,10H
InChIKey:
WOQWWNJQZLYLMC-UHFFFAOYSA-N

Cite this record

CBID:99323 http://www.chembase.cn/molecule-99323.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-difluoro-4-nitrophenol
IUPAC Traditional name
2,5-difluoro-4-nitrophenol
Synonyms
2,5-Difluoro-4-nitrophenol
CAS Number
120103-18-6
MDL Number
MFCD04039297
PubChem SID
162085597
PubChem CID
2782490

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2782490 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.2105465  H Acceptors
H Donor LogD (pH = 5.5) 1.4341558 
LogD (pH = 7.4) 0.113538146  Log P 1.8950685 
Molar Refractivity 35.7964 cm3 Polarizability 12.596174 Å3
Polar Surface Area 66.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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