Home Carboxys 1H-Indole-2-carboxylic acid, 3-methyl-5-(trifluoromethyl)-

1H-Indole-2-carboxylic acid, 3-methyl-5-(trifluoromethyl)-

CAS No.:
854531-37-6
Catalog Number:
AG00IDO7
Molecular Formula:
C11H8F3NO2
Molecular Weight:
243.1819
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Product Description
Catalog Number:
AG00IDO7
Chemical Name:
1H-Indole-2-carboxylic acid, 3-methyl-5-(trifluoromethyl)-
CAS Number:
854531-37-6
Molecular Formula:
C11H8F3NO2
Molecular Weight:
243.1819
MDL Number:
MFCD20229271
IUPAC Name:
3-methyl-5-(trifluoromethyl)-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C11H8F3NO2/c1-5-7-4-6(11(12,13)14)2-3-8(7)15-9(5)10(16)17/h2-4,15H,1H3,(H,16,17)
InChI Key:
LECJPQOXBUBLQP-UHFFFAOYSA-N
SMILES:
OC(=O)c1[nH]c2c(c1C)cc(cc2)C(F)(F)F
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.051g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
243.185g/mol
Monoisotopic Mass:
243.051g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties