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2339-59-5 molecular structure
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4-fluorobenzene-1-carboximidamide

ChemBase ID: 169082
Molecular Formular: C7H7FN2
Molecular Mass: 138.1422832
Monoisotopic Mass: 138.05932645
SMILES and InChIs

SMILES:
c1cc(ccc1C(=N)N)F
Canonical SMILES:
NC(=N)c1ccc(cc1)F
InChI:
InChI=1S/C7H7FN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
InChIKey:
OSTGTIZRQZOYAH-UHFFFAOYSA-N

Cite this record

CBID:169082 http://www.chembase.cn/molecule-169082.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-fluorobenzene-1-carboximidamide
IUPAC Traditional name
4-fluorobenzenecarboximidamide
Synonyms
4-Fluorobenzamidine, Hydrochloride, Monohydrate
4-fluorobenzenecarboximidamide
CAS Number
2339-59-5
MDL Number
MFCD01076313
PubChem SID
162263214
PubChem CID
4295238

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4295238 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.3789363  LogD (pH = 7.4) -1.3706815 
Log P 1.0364162  Molar Refractivity 47.9469 cm3
Polarizability 13.690834 Å3 Polar Surface Area 49.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
213-215°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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