Home Carboxys methyl 5-(trifluoromethyl)-1H-indole-2-carboxylate

methyl 5-(trifluoromethyl)-1H-indole-2-carboxylate

CAS No.:
1362860-89-6
Catalog Number:
AG01BKEV
Molecular Formula:
C11H8F3NO2
Molecular Weight:
243.1819
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Product Description
Catalog Number:
AG01BKEV
Chemical Name:
methyl 5-(trifluoromethyl)-1H-indole-2-carboxylate
CAS Number:
1362860-89-6
Molecular Formula:
C11H8F3NO2
Molecular Weight:
243.1819
MDL Number:
MFCD21609355
IUPAC Name:
methyl 5-(trifluoromethyl)-1H-indole-2-carboxylate
InChI:
InChI=1S/C11H8F3NO2/c1-17-10(16)9-5-6-4-7(11(12,13)14)2-3-8(6)15-9/h2-5,15H,1H3
InChI Key:
FXGFFFIBKZLKIY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c([nH]1)ccc(c2)C(F)(F)F
Properties
Complexity:
306  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
243.185g/mol
Monoisotopic Mass:
243.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties