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322-68-9 molecular structure
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5-fluoro-2-nitro-N-phenylaniline

ChemBase ID: 292080
Molecular Formular: C12H9FN2O2
Molecular Mass: 232.2104632
Monoisotopic Mass: 232.06480576
SMILES and InChIs

SMILES:
O=[N+](c1ccc(F)cc1Nc1ccccc1)[O-]
Canonical SMILES:
Fc1ccc(c(c1)Nc1ccccc1)[N+](=O)[O-]
InChI:
InChI=1S/C12H9FN2O2/c13-9-6-7-12(15(16)17)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H
InChIKey:
MGLYOAKLGQZIHK-UHFFFAOYSA-N

Cite this record

CBID:292080 http://www.chembase.cn/molecule-292080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2-nitro-N-phenylaniline
IUPAC Traditional name
5-fluoro-2-nitro-N-phenylaniline
Synonyms
5-Fluoro-2-nitro-N-phenylaniline
CAS Number
322-68-9
MDL Number
MFCD21609494
PubChem SID
180677611
PubChem CID
18992983

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD239726 Please log in.
Data Source Data ID
PubChem 18992983 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.35349  H Acceptors
H Donor LogD (pH = 5.5) 4.795858 
LogD (pH = 7.4) 4.795858  Log P 4.795858 
Molar Refractivity 61.0811 cm3 Polarizability 22.614403 Å3
Polar Surface Area 55.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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