Home Carboxys 4,5,6-trifluoro-1H-indole-2-carboxylic acid

4,5,6-trifluoro-1H-indole-2-carboxylic acid

CAS No.:
884494-64-8
Catalog Number:
AG01DWSA
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
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Product Description
Catalog Number:
AG01DWSA
Chemical Name:
4,5,6-trifluoro-1H-indole-2-carboxylic acid
CAS Number:
884494-64-8
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
IUPAC Name:
4,5,6-trifluoro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H4F3NO2/c10-4-2-5-3(7(11)8(4)12)1-6(13-5)9(14)15/h1-2,13H,(H,14,15)
InChI Key:
HPKJHKKYUIXQRR-UHFFFAOYSA-N
SMILES:
Fc1cc2[nH]c(cc2c(c1F)F)C(=O)O
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.019g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.131g/mol
Monoisotopic Mass:
215.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties