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MFCD00173093 molecular structure
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1-(hydrazinecarbonyl)-N-[4-(trifluoromethoxy)phenyl]formamide

ChemBase ID: 40976
Molecular Formular: C9H8F3N3O3
Molecular Mass: 263.1733296
Monoisotopic Mass: 263.05177579
SMILES and InChIs

SMILES:
C(=O)(C(=O)Nc1ccc(OC(F)(F)F)cc1)NN
Canonical SMILES:
NNC(=O)C(=O)Nc1ccc(cc1)OC(F)(F)F
InChI:
InChI=1S/C9H8F3N3O3/c10-9(11,12)18-6-3-1-5(2-4-6)14-7(16)8(17)15-13/h1-4H,13H2,(H,14,16)(H,15,17)
InChIKey:
JXPNFSKCIDLDQU-UHFFFAOYSA-N

Cite this record

CBID:40976 http://www.chembase.cn/molecule-40976.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(hydrazinecarbonyl)-N-[4-(trifluoromethoxy)phenyl]formamide
IUPAC Traditional name
1-(hydrazinecarbonyl)-N-[4-(trifluoromethoxy)phenyl]formamide
Synonyms
2-Hydrazino-2-oxo-N-4-(trifluoromethoxy)phenyl]acetamide
Oxalic monohydrazide mono(4-trifluoromethoxy)anilide
2-hydrazino-2-oxo-N-[4-(trifluoromethoxy)phenyl]acetamide
2-Hydrazino-2-oxo-N-[4-(trifluoromethoxy)phenyl]-acetamide
MDL Number
MFCD00173093
PubChem SID
162045739
PubChem CID
2775079

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2775079 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.296883  H Acceptors
H Donor LogD (pH = 5.5) 1.4973866 
LogD (pH = 7.4) 1.4526229  Log P 1.4982436 
Molar Refractivity 52.0925 cm3 Polarizability 20.035044 Å3
Polar Surface Area 93.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
215 - 217 °C expand Show data source
215-217°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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