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458-52-6 molecular structure
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2-fluoro-4-methoxyaniline hydrochloride

ChemBase ID: 796323
Molecular Formular: C7H9ClFNO
Molecular Mass: 177.6038632
Monoisotopic Mass: 177.03566981
SMILES and InChIs

SMILES:
Cl.Nc1c(cc(cc1)OC)F
Canonical SMILES:
COc1ccc(c(c1)F)N.Cl
InChI:
InChI=1S/C7H8FNO.ClH/c1-10-5-2-3-7(9)6(8)4-5;/h2-4H,9H2,1H3;1H
InChIKey:
WPOCEWUNBSYJIB-UHFFFAOYSA-N

Cite this record

CBID:796323 http://www.chembase.cn/molecule-796323.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-4-methoxyaniline hydrochloride
IUPAC Traditional name
2-fluoro-4-methoxyaniline hydrochloride
Synonyms
2-Fluoro-4-Methoxyaniline hydrochloride
CAS Number
458-52-6
874959-93-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1275802  LogD (pH = 7.4) 1.1293283 
Log P 1.1293505  Molar Refractivity 37.438 cm3
Polarizability 13.678523 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% 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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