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133115-55-6 molecular structure
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[3-(trifluoromethoxy)phenyl]hydrazine dihydrochloride

ChemBase ID: 799225
Molecular Formular: C7H9Cl2F3N2O
Molecular Mass: 265.0603696
Monoisotopic Mass: 264.00440294
SMILES and InChIs

SMILES:
Cl.Cl.N(N)c1cc(ccc1)OC(F)(F)F
Canonical SMILES:
NNc1cccc(c1)OC(F)(F)F.Cl.Cl
InChI:
InChI=1S/C7H7F3N2O.2ClH/c8-7(9,10)13-6-3-1-2-5(4-6)12-11;;/h1-4,12H,11H2;2*1H
InChIKey:
RTEHCXPRSJCHSJ-UHFFFAOYSA-N

Cite this record

CBID:799225 http://www.chembase.cn/molecule-799225.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[3-(trifluoromethoxy)phenyl]hydrazine dihydrochloride
IUPAC Traditional name
[3-(trifluoromethoxy)phenyl]hydrazine dihydrochloride
Synonyms
1-(3-(trifluoromethoxy)phenyl)hydrazine dihydrochloride
CAS Number
133115-55-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13575 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13575 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) 2.6147053  LogD (pH = 7.4) 2.7931757 
Log P 2.796  Molar Refractivity 38.835 cm3
Polarizability 14.879622 Å3 Polar Surface Area 47.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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