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2339-58-4 molecular structure
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3-fluoro-5-methoxyaniline

ChemBase ID: 95029
Molecular Formular: C7H8FNO
Molecular Mass: 141.1429232
Monoisotopic Mass: 141.0589921
SMILES and InChIs

SMILES:
O(c1cc(cc(c1)N)F)C
Canonical SMILES:
COc1cc(N)cc(c1)F
InChI:
InChI=1S/C7H8FNO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,9H2,1H3
InChIKey:
BHWSRJOKTBUWBN-UHFFFAOYSA-N

Cite this record

CBID:95029 http://www.chembase.cn/molecule-95029.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoro-5-methoxyaniline
IUPAC Traditional name
3-fluoro-5-methoxyaniline
Synonyms
3-Amino-5-fluoroanisole
3-Fluoro-5-methoxyaniline 98%
3-fluoro-5-methoxyaniline
CAS Number
2339-58-4
MDL Number
MFCD00077535
PubChem SID
162081680
PubChem CID
40427890

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 40427890 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1285006  LogD (pH = 7.4) 1.1293398 
Log P 1.1293505  Molar Refractivity 37.438 cm3
Polarizability 13.678571 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.359 expand Show data source
Storage Warning
Harmful/Irritant/Light Sensitive/Keep Cold expand Show data source
Purity
95% expand Show data source
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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