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259269-90-4 molecular structure
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4-(2-fluorophenyl)benzohydrazide

ChemBase ID: 101956
Molecular Formular: C13H11FN2O
Molecular Mass: 230.2376432
Monoisotopic Mass: 230.0855412
SMILES and InChIs

SMILES:
C(=O)(c1ccc(c2c(F)cccc2)cc1)NN
Canonical SMILES:
NNC(=O)c1ccc(cc1)c1ccccc1F
InChI:
InChI=1S/C13H11FN2O/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(17)16-15/h1-8H,15H2,(H,16,17)
InChIKey:
JECYSDNNXSKYNP-UHFFFAOYSA-N

Cite this record

CBID:101956 http://www.chembase.cn/molecule-101956.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(2-fluorophenyl)benzohydrazide
IUPAC Traditional name
4-(2-fluorophenyl)benzohydrazide
Synonyms
2'-fluoro[1,1'-biphenyl]-4-carbohydrazide
CAS Number
259269-90-4
MDL Number
MFCD00662512
PubChem SID
162088480
PubChem CID
715063

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 715063 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.216919  H Acceptors
H Donor LogD (pH = 5.5) 2.3164701 
LogD (pH = 7.4) 2.3173268  Log P 2.3173378 
Molar Refractivity 64.9731 cm3 Polarizability 25.181599 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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