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387358-53-4 molecular structure
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2,3-difluorobenzohydrazide

ChemBase ID: 10264
Molecular Formular: C7H6F2N2O
Molecular Mass: 172.1321464
Monoisotopic Mass: 172.04481926
SMILES and InChIs

SMILES:
c1ccc(c(c1C(=O)NN)F)F
Canonical SMILES:
NNC(=O)c1cccc(c1F)F
InChI:
InChI=1S/C7H6F2N2O/c8-5-3-1-2-4(6(5)9)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKey:
OTAQPODTRVCAKB-UHFFFAOYSA-N

Cite this record

CBID:10264 http://www.chembase.cn/molecule-10264.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-difluorobenzohydrazide
IUPAC Traditional name
2,3-difluorobenzohydrazide
Synonyms
2,3-Difluorobenzhydrazide
2,3-Difluorobenzoic acid hydrazide 98%
CAS Number
387358-53-4
MDL Number
MFCD02183536
PubChem SID
160973571
PubChem CID
2774072

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2774072 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.1359215  H Acceptors
H Donor LogD (pH = 5.5) 0.8121717 
LogD (pH = 7.4) 0.812799  Log P 0.8128143 
Molar Refractivity 40.0533 cm3 Polarizability 14.134986 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
127-129°C expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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