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Home Carboxes 682805-12-5
682805-12-5,MFCD03002852
Catalog No.:AA00FAEV

682805-12-5 | 2-Chloro-5-(trifluoromethyl)cinnamic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$79.00   $55.00
- +
5g
98%
in stock  
$270.00   $189.00
- +
10g
98%
in stock  
$477.00   $334.00
- +
25g
98%
in stock  
$809.00   $567.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00FAEV
Chemical Name:
2-Chloro-5-(trifluoromethyl)cinnamic acid
CAS Number:
682805-12-5
Molecular Formula:
C10H6ClF3O2
Molecular Weight:
250.6016
MDL Number:
MFCD03002852
SMILES:
OC(=O)/C=C/c1cc(ccc1Cl)C(F)(F)F
Properties
Computed Properties
 
Complexity:
288  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
3.4  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:682805-12-5 Molecular Formula|682805-12-5 MDL|682805-12-5 SMILES|682805-12-5 2-Chloro-5-(trifluoromethyl)cinnamic acid