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2369-11-1 molecular structure
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5-fluoro-2-nitroaniline

ChemBase ID: 16376
Molecular Formular: C6H5FN2O2
Molecular Mass: 156.1145032
Monoisotopic Mass: 156.03350563
SMILES and InChIs

SMILES:
[N+](=O)([O-])c1ccc(cc1N)F
Canonical SMILES:
Fc1ccc(c(c1)N)[N+](=O)[O-]
InChI:
InChI=1S/C6H5FN2O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,8H2
InChIKey:
PEDMFCHWOVJDNW-UHFFFAOYSA-N

Cite this record

CBID:16376 http://www.chembase.cn/molecule-16376.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2-nitroaniline
IUPAC Traditional name
5-fluoro-2-nitroaniline
Synonyms
5-Fluoro-2-nitroaniline
2-Amino-4-fluoronitrobenzene
CAS Number
2369-11-1
MDL Number
MFCD00034065
PubChem SID
160979683
PubChem CID
75399

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.599646  H Acceptors
H Donor LogD (pH = 5.5) 1.8770059 
LogD (pH = 7.4) 1.8770059  Log P 1.8770059 
Molar Refractivity 37.2953 cm3 Polarizability 13.164184 Å3
Polar Surface Area 69.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.039 expand Show data source
Storage Warning
IRRITANT expand Show data source
Toxic/Harmful/Irritant/Light Sensitive/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% 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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