Home Fluorides 954239-22-6
954239-22-6,MFCD08690097
Catalog No.:AA00IJ0E
954239-22-6 | 6-Trifluoromethylindazole
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Purity
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Quantity
  
250mg
97%
in stock  
$76.00
- +
1g
97%
in stock  
$93.00
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10g
98%
in stock  
$867.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00IJ0E
Chemical Name:
6-Trifluoromethylindazole
CAS Number:
954239-22-6
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD08690097
IUPAC Name:
6-(trifluoromethyl)-1H-indazole
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5-4-12-13-7(5)3-6/h1-4H,(H,12,13)
InChI Key:
PFAFARJWFBPNIN-UHFFFAOYSA-N
SMILES:
FC(c1ccc2c(c1)[nH]nc2)(F)F
Properties
Computed Properties
 
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
6-(Trifluoromethyl)-1H-Indazole 
954239-22-6 
DTXSID90614231 
PFAFARJWFBPNIN-UHFFFAOYSA-N 
ZX-AP009924 
ANW-40516 
BBL102944 
BDBM50167320 
FCH862458 
MFCD08690097 
STL556753 
ZINC14985616 
6-Trifluoromethylindazole 
AKOS006288306 
CS-W005427 
FS-3615 
MB06476 
PC51050 
RP24607 
RTR-029792 
AJ-66365 
AX8026387 
DB-080246 
6-Trifluoromethyl-1H-indazole 
ST2412163 
TR-029792 
4CH-012646 
FT-0712397 
Z5407 
B-4557 
I10-908 
J-518121 
5-(Trifluoromethyl)-1H-indazole 
C8H5F3N2 
CHEMBL3797508 
885271-64-7 
AK-99898 
ACMC-209ryu 
6-(Trifluoromethyl)indazole 
SCHEMBL1273777 
CTK5H7745 
Literature
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