Home Carboxys 5,6,7-trifluoro-1H-indole-2-carboxylic acid

5,6,7-trifluoro-1H-indole-2-carboxylic acid

CAS No.:
247564-70-1
Catalog Number:
AG01C1N1
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
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Product Description
Catalog Number:
AG01C1N1
Chemical Name:
5,6,7-trifluoro-1H-indole-2-carboxylic acid
CAS Number:
247564-70-1
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
MDL Number:
MFCD01863164
IUPAC Name:
5,6,7-trifluoro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H4F3NO2/c10-4-1-3-2-5(9(14)15)13-8(3)7(12)6(4)11/h1-2,13H,(H,14,15)
InChI Key:
IRUXZNNSALVGTR-UHFFFAOYSA-N
SMILES:
Fc1cc2cc([nH]c2c(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