Home Fluorides 403-15-6
403-15-6,MFCD01631424
Catalog No.:AA003LBI

403-15-6 | 4-Fluoro-3-methylbenzoic acid

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Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$6.00   $4.00
- +
5g
97%
in stock  
$7.00   $5.00
- +
10g
97%
in stock  
$9.00   $7.00
- +
25g
97%
in stock  
$22.00   $15.00
- +
100g
97%
in stock  
$78.00   $55.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003LBI
Chemical Name:
4-Fluoro-3-methylbenzoic acid
CAS Number:
403-15-6
Molecular Formula:
C8H7FO2
Molecular Weight:
154.1384
MDL Number:
MFCD01631424
SMILES:
OC(=O)c1ccc(c(c1)C)F
NSC Number:
51778
Properties
Properties
 
BP:
266.3°C at 760 mmHg  
Form:
Solid  
MP:
164-168 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
158  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.5  

Literature

Title: Liquid chromatography-tandem mass spectrometry identification of metabolites of three phenylcarboxyl derivatives of the 5-HT(1A) antagonist, N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-(2-pyridyl) trans-4-fluorocyclohexanecarboxamide (FCWAY), produced by human and rat hepatocytes.

Journal: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20021115

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