Home Carboxys 3-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

3-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxylic acid

CAS No.:
2059954-21-9
Catalog Number:
AG01BO5K
Molecular Formula:
C11H8F3NO3
Molecular Weight:
259.1813
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Product Description
Catalog Number:
AG01BO5K
Chemical Name:
3-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxylic acid
CAS Number:
2059954-21-9
Molecular Formula:
C11H8F3NO3
Molecular Weight:
259.1813
MDL Number:
MFCD30498735
IUPAC Name:
3-methyl-5-(trifluoromethoxy)-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C11H8F3NO3/c1-5-7-4-6(18-11(12,13)14)2-3-8(7)15-9(5)10(16)17/h2-4,15H,1H3,(H,16,17)
InChI Key:
RRPHIUPZNCEGNX-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1C)cc(cc2)OC(F)(F)F
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.184g/mol
Monoisotopic Mass:
259.046g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties