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22510-10-7 molecular structure
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4-fluoro-3-methoxyaniline hydrochloride

ChemBase ID: 96916
Molecular Formular: C7H9ClFNO
Molecular Mass: 177.6038632
Monoisotopic Mass: 177.03566981
SMILES and InChIs

SMILES:
Nc1cc(c(cc1)F)OC.Cl
Canonical SMILES:
COc1cc(N)ccc1F.Cl
InChI:
InChI=1S/C7H8FNO.ClH/c1-10-7-4-5(9)2-3-6(7)8;/h2-4H,9H2,1H3;1H
InChIKey:
UZURFHIRRDUVCX-UHFFFAOYSA-N

Cite this record

CBID:96916 http://www.chembase.cn/molecule-96916.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluoro-3-methoxyaniline hydrochloride
IUPAC Traditional name
4-fluoro-3-methoxyaniline hydrochloride
Synonyms
4-Fluoro-3-methoxyaniline hydrochloride 98%
CAS Number
22510-10-7
MDL Number
MFCD08689481
PubChem SID
162083560
PubChem CID
21939283

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 21939283 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.1256697  LogD (pH = 7.4) 1.129304 
Log P 1.1293505  Molar Refractivity 37.438 cm3
Polarizability 13.678762 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
248-250°C expand Show data source
Storage Warning
Irritant/Keep Cold expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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