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34547-28-9 molecular structure
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2-(4-fluorophenyl)acetohydrazide

ChemBase ID: 236932
Molecular Formular: C8H9FN2O
Molecular Mass: 168.1682632
Monoisotopic Mass: 168.06989114
SMILES and InChIs

SMILES:
C(=O)(NN)Cc1ccc(F)cc1
Canonical SMILES:
NNC(=O)Cc1ccc(cc1)F
InChI:
InChI=1S/C8H9FN2O/c9-7-3-1-6(2-4-7)5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
InChIKey:
PFBNINAURUGQRR-UHFFFAOYSA-N

Cite this record

CBID:236932 http://www.chembase.cn/molecule-236932.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-fluorophenyl)acetohydrazide
IUPAC Traditional name
2-(4-fluorophenyl)acetohydrazide
Synonyms
2-(4-fluorophenyl)acetohydrazide
CAS Number
34547-28-9
MDL Number
MFCD06655053
PubChem SID
164292842
PubChem CID
3771612

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-10492 external link Add to cart Please log in.
Data Source Data ID
PubChem 3771612 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.825888  H Acceptors
H Donor LogD (pH = 5.5) 0.64850396 
LogD (pH = 7.4) 0.65024036  Log P 0.65027773 
Molar Refractivity 43.8883 cm3 Polarizability 16.340017 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.287 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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