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1494-26-4 molecular structure
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4-methoxy-N-[3-(trifluoromethyl)phenyl]aniline

ChemBase ID: 9261
Molecular Formular: C14H12F3NO
Molecular Mass: 267.2463896
Monoisotopic Mass: 267.08709867
SMILES and InChIs

SMILES:
N(c1ccc(cc1)OC)c1cc(ccc1)C(F)(F)F
Canonical SMILES:
COc1ccc(cc1)Nc1cccc(c1)C(F)(F)F
InChI:
InChI=1S/C14H12F3NO/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17/h2-9,18H,1H3
InChIKey:
VODIERGLAGAWQU-UHFFFAOYSA-N

Cite this record

CBID:9261 http://www.chembase.cn/molecule-9261.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-N-[3-(trifluoromethyl)phenyl]aniline
IUPAC Traditional name
4-methoxy-N-[3-(trifluoromethyl)phenyl]aniline
Synonyms
3-(Trifluoromethyl)-4'-methoxydiphenylamine
CAS Number
1494-26-4
MDL Number
MFCD00143198
PubChem SID
160972568
PubChem CID
619960

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 619960 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.1333194  LogD (pH = 7.4) 4.1333485 
Log P 4.133349  Molar Refractivity 66.9811 cm3
Polarizability 24.60121 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
MSDS Link
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TSCA Listed
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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