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94695-52-0,MFCD01173812
Catalog No.:AA006T4E

94695-52-0 | 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$8.00   $5.00
- +
1g
97%
in stock  
$19.00   $13.00
- +
5g
95%
in stock  
$87.00   $61.00
- +
25g
95%
in stock  
$245.00   $171.00
- +
100g
95%
in stock  
$843.00   $590.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006T4E
Chemical Name:
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
94695-52-0
Molecular Formula:
C13H8F3NO3
Molecular Weight:
283.2027
MDL Number:
MFCD01173812
SMILES:
Fc1cc2c(=O)c(cn(c2c(c1F)F)C1CC1)C(=O)O
Properties
Properties
 
Form:
Solid  
MP:
226-228°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
491  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2  

Upstream Synthesis Route

[1]LiebigsAnnalenderChemie,1987,p.29-37

[2]JournalofMedicinalChemistry,1988,vol.31,#5,p.991-1001

[3]Patent:US2002/120138,2002,A1,

[4]Patent:CN106674254,2017,A,.Locationinpatent:Paragraph0264;0267

[1]Patent:US4638067,1987,A,

[2]Patent:US4663457,1987,A,

[3]Patent:US4771054,1988,A,

[1]Patent:US4588726,1986,A,

[2]Patent:US4599334,1986,A,

[1]JournalofMedicinalChemistry,1988,vol.31,#5,p.991-1001

[2]LiebigsAnnalenderChemie,1987,p.29-37

[3]Patent:CN106674254,2017,A,

[1]JournalofMedicinalChemistry,1988,vol.31,#5,p.991-1001

[2]LiebigsAnnalenderChemie,1987,p.29-37

[3]Patent:CN106674254,2017,A,

Downstream Synthesis Route

[1]LiebigsAnnalenderChemie,1987,p.29-37

[2]Patent:US4659603,1987,A

[3]Patent:US4556658,1985,A

[1]JournalofMedicinalChemistry,1993,vol.36,p.801-810

[2]Patent:US4927926,1990,A

[1]JournalofMedicinalChemistry,1990,vol.33,p.849-854

[2]Patent:US4771055,1988,A

[1]JournalofMedicinalChemistry,1990,vol.33,p.849-854

[2]Patent:US4840956,1989,A

[1]JournalofMedicinalChemistry,1990,vol.33,p.849-854

[2]Patent:US4840956,1989,A

Literature
Quotation Request
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SDS
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Tags:94695-52-0 Molecular Formula|94695-52-0 MDL|94695-52-0 SMILES|94695-52-0 1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid