774-47-0,MFCD02998377
Catalog No.:AA00343F

774-47-0 | 5,6-Difluoroisatin

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$11.00   $8.00
- +
1g
97%
in stock  
$16.00   $12.00
- +
5g
97%
in stock  
$39.00   $27.00
- +
100g
97%
in stock  
$699.00   $490.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00343F
Chemical Name:
5,6-Difluoroisatin
CAS Number:
774-47-0
Molecular Formula:
C8H3F2NO2
Molecular Weight:
183.1117
MDL Number:
MFCD02998377
SMILES:
O=C1Nc2c(C1=O)cc(c(c2)F)F
Properties
Properties
 
Form:
Solid  
MP:
218-220℃  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
269  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1  

Synonyms
 
  
Upstream Synthesis Route

[1]Synlett,2016,vol.27,#10,p.1516-1520

[2]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

[1]Patent:US5441955,1995,A,

[1]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

[1]JournalofMedicinalChemistry,2018,vol.61,#8,p.3436-3453

[1]Patent:EP342849,1990,A3,

[2]MendeleevCommunications,2015,vol.25,#1,p.13-14

[3]OrganicandBiomolecularChemistry,2018,vol.16,#28,p.5119-5135

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

[1]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

[1]Synlett,2016,vol.27,p.1516-1520

[2]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

774-47-0    102978-41-6   
7-carboxylicacid10,11-difluoro-20(R,S)-camptothecin 

[1]JournalofMedicinalChemistry,1995,vol.38,p.906-911

774-47-0    102978-41-6   
8(R,S)-ethyl-2-(5,6-difluoro-2-oxo-1,2-dihydroindol-3-ylidene)-8-hydroxy-2,3,5,8-tetrahydro-6-oxa-3a-azacyclopenta<b>naphthalene-1,4,7-trione 

[1]JournalofMedicinalChemistry,1995,vol.38,p.906-911

Literature
Quotation Request
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Additional Info:
SDS
Tags:774-47-0 Molecular Formula|774-47-0 MDL|774-47-0 SMILES|774-47-0 5,6-Difluoroisatin
Catalog No.: AA00343F
774-47-0,MFCD02998377
774-47-0 | 5,6-Difluoroisatin
Pack Size: 250mg
Purity: 97%
in stock
$11.00 $8.00
Pack Size: 1g
Purity: 97%
in stock
$16.00 $12.00
Pack Size: 5g
Purity: 97%
in stock
$39.00 $27.00
Pack Size: 100g
Purity: 97%
in stock
$699.00 $490.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00343F
Chemical Name: 5,6-Difluoroisatin
CAS Number: 774-47-0
Molecular Formula: C8H3F2NO2
Molecular Weight: 183.1117
MDL Number: MFCD02998377
SMILES: O=C1Nc2c(C1=O)cc(c(c2)F)F
Properties
Form: Solid  
MP: 218-220℃  
Storage: Keep in dry area;Room Temperature;  
Complexity: 269  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1  
60:   
Upstream Synthesis Route
370-55-8    774-47-0 

[1]Synlett,2016,vol.27,#10,p.1516-1520

[2]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

507-40-4    5466-06-8    3863-11-4    169037-22-3    774-47-0 

[1]Patent:US5441955,1995,A,

3863-11-4    774-47-0 

[1]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

302-17-0    3863-11-4    774-47-0 

[1]JournalofMedicinalChemistry,2018,vol.61,#8,p.3436-3453

774-47-0    83506-93-8 

[1]Patent:EP342849,1990,A3,

[2]MendeleevCommunications,2015,vol.25,#1,p.13-14

[3]OrganicandBiomolecularChemistry,2018,vol.16,#28,p.5119-5135

Downstream Synthesis Route
774-47-0    108-94-1    731-61-3 

[1]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

774-47-0    589-92-4    1764-61-0 

[1]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

370-55-8    774-47-0 

[1]Synlett,2016,vol.27,p.1516-1520

[2]JournalofOrganicChemistry,1958,vol.23,p.1858,1860

774-47-0    102978-41-6   
7-carboxylicacid10,11-difluoro-20(R,S)-camptothecin 

[1]JournalofMedicinalChemistry,1995,vol.38,p.906-911

774-47-0    102978-41-6   
8(R,S)-ethyl-2-(5,6-difluoro-2-oxo-1,2-dihydroindol-3-ylidene)-8-hydroxy-2,3,5,8-tetrahydro-6-oxa-3a-azacyclopenta<b>naphthalene-1,4,7-trione 

[1]JournalofMedicinalChemistry,1995,vol.38,p.906-911

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