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80245-28-9,MFCD11226579
Catalog No.:AA00G7GR

80245-28-9 | 2,3-Dimethylbenzotrifluoride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
1 week  
$350.00   $245.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00G7GR
Chemical Name:
2,3-Dimethylbenzotrifluoride
CAS Number:
80245-28-9
Molecular Formula:
C9H9F3
Molecular Weight:
174.1630
MDL Number:
MFCD11226579
SMILES:
Cc1cccc(c1C)C(F)(F)F
Properties
Computed Properties
 
Complexity:
150  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.5  

Literature

Title: Phototransposition reactions of methyl-substituted benzotrifluorides: proof of the role of trifluoromethyl-substituted carbon.

Journal: The Journal of organic chemistry 20021227

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Tags:80245-28-9 Molecular Formula|80245-28-9 MDL|80245-28-9 SMILES|80245-28-9 2,3-Dimethylbenzotrifluoride
Catalog No.: AA00G7GR
80245-28-9,MFCD11226579
80245-28-9 | 2,3-Dimethylbenzotrifluoride
Pack Size： 1g
Purity： 95%
1 week
$350.00 $245.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA00G7GR
Chemical Name: 2,3-Dimethylbenzotrifluoride
CAS Number: 80245-28-9
Molecular Formula: C9H9F3
Molecular Weight: 174.1630
MDL Number: MFCD11226579
SMILES: Cc1cccc(c1C)C(F)(F)F
Properties
Complexity: 150  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.5  
Literature fold

Title: Phototransposition reactions of methyl-substituted benzotrifluorides: proof of the role of trifluoromethyl-substituted carbon.

Journal: The Journal of organic chemistry20021227

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