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330-83-6 molecular structure
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4-fluoro-N-phenylaniline

ChemBase ID: 95037
Molecular Formular: C12H10FN
Molecular Mass: 187.2129032
Monoisotopic Mass: 187.07972755
SMILES and InChIs

SMILES:
N(c1ccc(cc1)F)c1ccccc1
Canonical SMILES:
Fc1ccc(cc1)Nc1ccccc1
InChI:
InChI=1S/C12H10FN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H
InChIKey:
RBWCFTJQRDTIBX-UHFFFAOYSA-N

Cite this record

CBID:95037 http://www.chembase.cn/molecule-95037.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluoro-N-phenylaniline
IUPAC Traditional name
4-fluoro-N-phenylaniline
Synonyms
4-Fluorodiphenylamine 97%
CAS Number
330-83-6
MDL Number
MFCD01318538
PubChem SID
162081688
PubChem CID
2774468

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 2774468 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5558634  LogD (pH = 7.4) 3.5558734 
Log P 3.5558736  Molar Refractivity 54.7606 cm3
Polarizability 20.710146 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
176-177°C/15mm expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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