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MFCD09729488 molecular structure
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3-fluoro-4-methylbenzohydrazide

ChemBase ID: 35441
Molecular Formular: C8H9FN2O
Molecular Mass: 168.1682632
Monoisotopic Mass: 168.06989114
SMILES and InChIs

SMILES:
C(=O)(c1cc(c(cc1)C)F)NN
Canonical SMILES:
NNC(=O)c1ccc(c(c1)F)C
InChI:
InChI=1S/C8H9FN2O/c1-5-2-3-6(4-7(5)9)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
InChIKey:
IJKHDRBSWLCCDJ-UHFFFAOYSA-N

Cite this record

CBID:35441 http://www.chembase.cn/molecule-35441.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoro-4-methylbenzohydrazide
IUPAC Traditional name
3-fluoro-4-methylbenzohydrazide
Synonyms
3-Fluoro-4-methylbenzohydrazide
MDL Number
MFCD09729488
PubChem SID
160998748
PubChem CID
16782781

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
038214 external link Add to cart Please log in.
Data Source Data ID
PubChem 16782781 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.068739  H Acceptors
H Donor LogD (pH = 5.5) 1.1826595 
LogD (pH = 7.4) 1.1835227  Log P 1.1835338 
Molar Refractivity 44.8781 cm3 Polarizability 16.063593 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
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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