Home Carboxys 5-(Trifluoromethyl)indole-2-carboxylic acid ethyl ester

5-(Trifluoromethyl)indole-2-carboxylic acid ethyl ester

CAS No.:
201929-84-2
Catalog Number:
AG00BCMX
Molecular Formula:
C12H10F3NO2
Molecular Weight:
257.2085
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Product Description
Catalog Number:
AG00BCMX
Chemical Name:
5-(Trifluoromethyl)indole-2-carboxylic acid ethyl ester
CAS Number:
201929-84-2
Molecular Formula:
C12H10F3NO2
Molecular Weight:
257.2085
MDL Number:
MFCD07781196
IUPAC Name:
ethyl 5-(trifluoromethyl)-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H10F3NO2/c1-2-18-11(17)10-6-7-5-8(12(13,14)15)3-4-9(7)16-10/h3-6,16H,2H2,1H3
InChI Key:
XFZOLYIGTWILKO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ccc(c2)C(F)(F)F
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.066g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.212g/mol
Monoisotopic Mass:
257.066g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties