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1581-13-1 molecular structure
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2-(2-fluorobenzoyl)aniline

ChemBase ID: 50357
Molecular Formular: C13H10FNO
Molecular Mass: 215.2230032
Monoisotopic Mass: 215.07464217
SMILES and InChIs

SMILES:
C(=O)(c1c(N)cccc1)c1c(F)cccc1
Canonical SMILES:
Nc1ccccc1C(=O)c1ccccc1F
InChI:
InChI=1S/C13H10FNO/c14-11-7-3-1-5-9(11)13(16)10-6-2-4-8-12(10)15/h1-8H,15H2
InChIKey:
NRAJMXHXQHCBHO-UHFFFAOYSA-N

Cite this record

CBID:50357 http://www.chembase.cn/molecule-50357.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-fluorobenzoyl)aniline
IUPAC Traditional name
2-(2-fluorobenzoyl)aniline
Synonyms
(2-Aminophenyl)(2-fluorophenyl)methanone
CAS Number
1581-13-1
MDL Number
MFCD00007714
PubChem SID
162055120
PubChem CID
74101

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
053865 external link Add to cart Please log in.
Data Source Data ID
PubChem 74101 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.396105  LogD (pH = 7.4) 3.3963714 
Log P 3.396375  Molar Refractivity 61.5503 cm3
Polarizability 22.767086 Å3 Polar Surface Area 43.09 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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