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23584-85-2,MFCD01313502
Catalog No.:AA002NOV
23584-85-2 | 3-Furancarboxylic acid, 5-phenyl-2-(trifluoromethyl)-
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100mg
97%
in stock  
$5.00
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250mg
97%
in stock  
$8.00
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1g
97%
in stock  
$19.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002NOV
Chemical Name:
3-Furancarboxylic acid, 5-phenyl-2-(trifluoromethyl)-
CAS Number:
23584-85-2
Molecular Formula:
C12H7F3O3
Molecular Weight:
256.1774
MDL Number:
MFCD01313502
IUPAC Name:
5-phenyl-2-(trifluoromethyl)furan-3-carboxylic acid
InChI:
InChI=1S/C12H7F3O3/c13-12(14,15)10-8(11(16)17)6-9(18-10)7-4-2-1-3-5-7/h1-6H,(H,16,17)
InChI Key:
IEFJRMAEBBJXSY-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(oc1C(F)(F)F)c1ccccc1
Properties
Computed Properties
 
Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.035g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.18g/mol
Monoisotopic Mass:
256.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
23584-85-2 
5-phenyl-2-(trifluoromethyl)furan-3-carboxylic acid 
CTK4F1837 
HMS565I09 
KS-00000GRM 
DTXSID80380074 
IEFJRMAEBBJXSY-UHFFFAOYSA-N 
ZINC113667 
ZX-AP001086 
MFCD01313502 
PC0230 
SBB101690 
5-PHENYL-2-(TRIFLUOROMETHYL)-3-FUROIC ACID 
AKOS023114376 
MB01787 
PS-6309 
VZ30542 
ACM23584852 
AK327223 
AN-24922 
CC-22164 
DB-046190 
3-Carboxy-5-phenyl-2-(trifluoromethyl)furan 
3-Furancarboxylic acid,5-phenyl-2-(trifluoromethyl)- 
FT-0620755 
K-6432 
5-Phenyl-2-trifluoromethylfuran-3-carboxylic acid 
A816781 
C-15914 
5-phenyl-2-(trifluoromethyl)-3-furancarboxylic acid 
5-phenyl-2-trifluoromethyl-furan-3-carboxylic acid 
CID2776436 
3-Furancarboxylic acid, 5-phenyl-2-(trifluoromethyl)- 
2-(TRIFLUOROMETHYL)-5-PHENYLFURAN-3-CARBOXYLIC ACID 
Maybridge1_008457 
AC1MCQYY 
AC1Q72IV 
SCHEMBL595184 
Literature
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