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324-93-6 molecular structure
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4-(4-fluorophenyl)aniline hydrochloride

ChemBase ID: 93873
Molecular Formular: C12H11ClFN
Molecular Mass: 223.6738432
Monoisotopic Mass: 223.05640526
SMILES and InChIs

SMILES:
Fc1ccc(cc1)c1ccc(cc1)N.Cl
Canonical SMILES:
Nc1ccc(cc1)c1ccc(cc1)F.Cl
InChI:
InChI=1S/C12H10FN.ClH/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;/h1-8H,14H2;1H
InChIKey:
BOZYZEIWFJRWBL-UHFFFAOYSA-N

Cite this record

CBID:93873 http://www.chembase.cn/molecule-93873.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-fluorophenyl)aniline hydrochloride
IUPAC Traditional name
4-biphenylamine, 4'-fluoro- hydrochloride
Synonyms
4-(4-Fluorophenyl)aniline hydrochloride
4-Amino-4'-fluorobiphenyl hydrochloride 98%
CAS Number
324-93-6
MDL Number
MFCD08445325
PubChem SID
162080528
PubChem CID
11241564

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 11241564 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9210331  LogD (pH = 7.4) 2.9340782 
Log P 2.9342473  Molar Refractivity 56.111 cm3
Polarizability 22.091171 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
119-121°C expand Show data source
Storage Warning
Toxic expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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