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1215206-13-5 molecular structure
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N-methyl-2-(trifluoromethoxy)aniline hydrochloride

ChemBase ID: 796436
Molecular Formular: C8H9ClF3NO
Molecular Mass: 227.6113696
Monoisotopic Mass: 227.03247625
SMILES and InChIs

SMILES:
Cl.N(c1c(cccc1)OC(F)(F)F)C
Canonical SMILES:
CNc1ccccc1OC(F)(F)F.Cl
InChI:
InChI=1S/C8H8F3NO.ClH/c1-12-6-4-2-3-5-7(6)13-8(9,10)11;/h2-5,12H,1H3;1H
InChIKey:
RMCYZTBLDMTNHE-UHFFFAOYSA-N

Cite this record

CBID:796436 http://www.chembase.cn/molecule-796436.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-2-(trifluoromethoxy)aniline hydrochloride
IUPAC Traditional name
N-methyl-2-(trifluoromethoxy)aniline hydrochloride
Synonyms
N-Methyl-2-(trifluoroMethoxy)aniline hydrochloride
CAS Number
1215206-13-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O2816 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O2816 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.8384743  LogD (pH = 7.4) 2.8766267 
Log P 2.8771355  Molar Refractivity 39.3221 cm3
Polarizability 15.241555 Å3 Polar Surface Area 21.26 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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