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114997-91-0,MFCD18250484
Catalog No.:AA000FG6

114997-91-0 | 2-Chloro-5-(trifluoromethyl)benzo[d]oxazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$93.00   $65.00
- +
250mg
95%
in stock  
$130.00   $91.00
- +
1g
95%
in stock  
$246.00   $172.00
- +
5g
95%
in stock  
$1,213.00   $849.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000FG6
Chemical Name:
2-Chloro-5-(trifluoromethyl)benzo[d]oxazole
CAS Number:
114997-91-0
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
MDL Number:
MFCD18250484
SMILES:
Clc1oc2c(n1)cc(cc2)C(F)(F)F
Properties
Computed Properties
 
Complexity:
223  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4689-4693

[2]BioorganicandMedicinalChemistry,2007,vol.15,p.3515-3523

[3]JournalofMedicinalChemistry,1994,vol.37,p.913-923

[4]JournalofMedicinalChemistry,1988,vol.31,p.1719-1728

[5]JournalofFluorineChemistry,2013,vol.156,p.120-123

[6]Patent:WO2018/37223,2018,A1

[1]BioorganicandMedicinalChemistry,2007,vol.15,p.3515-3523

Literature
Quotation Request
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SDS
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Tags:114997-91-0 Molecular Formula|114997-91-0 MDL|114997-91-0 SMILES|114997-91-0 2-Chloro-5-(trifluoromethyl)benzo[d]oxazole
Catalog No.: AA000FG6
114997-91-0,MFCD18250484
114997-91-0 | 2-Chloro-5-(trifluoromethyl)benzo[d]oxazole
Pack Size： 100mg
Purity： 95%
in stock
$93.00 $65.00
Pack Size： 250mg
Purity： 95%
in stock
$130.00 $91.00
Pack Size： 1g
Purity： 95%
in stock
$246.00 $172.00
Pack Size： 5g
Purity： 95%
in stock
$1,213.00 $849.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000FG6
Chemical Name: 2-Chloro-5-(trifluoromethyl)benzo[d]oxazole
CAS Number: 114997-91-0
Molecular Formula: C8H3ClF3NO
Molecular Weight: 221.5637
MDL Number: MFCD18250484
SMILES: Clc1oc2c(n1)cc(cc2)C(F)(F)F
Properties
Complexity: 223  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Downstream Synthesis Route
454-81-9    114997-91-0 

[1]BioorganicandMedicinalChemistryLetters,2007,vol.17,p.4689-4693

[2]BioorganicandMedicinalChemistry,2007,vol.15,p.3515-3523

[3]JournalofMedicinalChemistry,1994,vol.37,p.913-923

[4]JournalofMedicinalChemistry,1988,vol.31,p.1719-1728

[5]JournalofFluorineChemistry,2013,vol.156,p.120-123

[6]Patent:WO2018/37223,2018,A1

400-99-7    114997-91-0 

[1]BioorganicandMedicinalChemistry,2007,vol.15,p.3515-3523

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