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350-78-7 molecular structure
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(2E)-N-(3-fluorophenyl)-2-(N-hydroxyimino)acetamide

ChemBase ID: 250462
Molecular Formular: C8H7FN2O2
Molecular Mass: 182.1517832
Monoisotopic Mass: 182.04915569
SMILES and InChIs

SMILES:
C(=O)(/C=N/O)Nc1cc(F)ccc1
Canonical SMILES:
O/N=C/C(=O)Nc1cccc(c1)F
InChI:
InChI=1S/C8H7FN2O2/c9-6-2-1-3-7(4-6)11-8(12)5-10-13/h1-5,13H,(H,11,12)/b10-5+
InChIKey:
RRBDCMDWXUILBY-BJMVGYQFSA-N

Cite this record

CBID:250462 http://www.chembase.cn/molecule-250462.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-N-(3-fluorophenyl)-2-(N-hydroxyimino)acetamide
IUPAC Traditional name
(2E)-N-(3-fluorophenyl)-2-(N-hydroxyimino)acetamide
Synonyms
(2E)-N-(3-fluorophenyl)-2-(hydroxyimino)acetamide
CAS Number
350-78-7
MDL Number
MFCD00462279
PubChem SID
164306372
PubChem CID
9603589

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-14793 external link Add to cart Please log in.
Data Source Data ID
PubChem 9603589 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.278372  H Acceptors
H Donor LogD (pH = 5.5) 1.0300025 
LogD (pH = 7.4) -0.4800281  Log P 1.4528086 
Molar Refractivity 45.8154 cm3 Polarizability 16.401606 Å3
Polar Surface Area 61.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.738 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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