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1214328-26-3 molecular structure
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(2-fluoro-5-nitrophenyl)methanamine hydrochloride

ChemBase ID: 291665
Molecular Formular: C7H8ClFN2O2
Molecular Mass: 206.6020232
Monoisotopic Mass: 206.02583341
SMILES and InChIs

SMILES:
NCc1cc([N+](=O)[O-])ccc1F.Cl
Canonical SMILES:
NCc1cc(ccc1F)[N+](=O)[O-].Cl
InChI:
InChI=1S/C7H7FN2O2.ClH/c8-7-2-1-6(10(11)12)3-5(7)4-9;/h1-3H,4,9H2;1H
InChIKey:
JGZTWMTUVINQJN-UHFFFAOYSA-N

Cite this record

CBID:291665 http://www.chembase.cn/molecule-291665.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-fluoro-5-nitrophenyl)methanamine hydrochloride
IUPAC Traditional name
(2-fluoro-5-nitrophenyl)methanamine hydrochloride
Synonyms
(2-Fluoro-5-nitrophenyl)methanamine hydrochloride
CAS Number
1214328-26-3
MDL Number
MFCD13194375
PubChem SID
180677196
PubChem CID
70700246

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231705 Please log in.
Data Source Data ID
PubChem 70700246 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5958097  LogD (pH = 7.4) -0.06501993 
Log P 1.1817003  Molar Refractivity 41.0683 cm3
Polarizability 15.316166 Å3 Polar Surface Area 69.16 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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