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1215206-17-9 molecular structure
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4-bromo-N-ethyl-2-fluoroaniline hydrochloride

ChemBase ID: 796099
Molecular Formular: C8H10BrClFN
Molecular Mass: 254.5271032
Monoisotopic Mass: 252.96691723
SMILES and InChIs

SMILES:
Cl.N(c1c(cc(cc1)Br)F)CC
Canonical SMILES:
CCNc1ccc(cc1F)Br.Cl
InChI:
InChI=1S/C8H9BrFN.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5,11H,2H2,1H3;1H
InChIKey:
HIYCNPLPHMNKJJ-UHFFFAOYSA-N

Cite this record

CBID:796099 http://www.chembase.cn/molecule-796099.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-N-ethyl-2-fluoroaniline hydrochloride
IUPAC Traditional name
4-bromo-N-ethyl-2-fluoroaniline hydrochloride
Synonyms
4-BroMo-N-ethyl-2-fluoroaniline hydrochloride
CAS Number
1215206-17-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1430 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1430 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.318996  H Acceptors
H Donor LogD (pH = 5.5) 2.7119286 
LogD (pH = 7.4) 2.7142568  Log P 2.7142866 
Molar Refractivity 48.8396 cm3 Polarizability 17.711088 Å3
Polar Surface Area 12.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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