Home Halogens Ethyl 5-chloro-3-(trifluoromethyl)-1H-indole-2-carboxylate

Ethyl 5-chloro-3-(trifluoromethyl)-1H-indole-2-carboxylate

CAS No.:
902772-08-1
Catalog Number:
AG00H21B
Molecular Formula:
C12H9ClF3NO2
Molecular Weight:
291.6536
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Product Description
Catalog Number:
AG00H21B
Chemical Name:
Ethyl 5-chloro-3-(trifluoromethyl)-1H-indole-2-carboxylate
CAS Number:
902772-08-1
Molecular Formula:
C12H9ClF3NO2
Molecular Weight:
291.6536
MDL Number:
MFCD12025897
IUPAC Name:
ethyl 5-chloro-3-(trifluoromethyl)-1H-indole-2-carboxylate
InChI:
InChI=1S/C12H9ClF3NO2/c1-2-19-11(18)10-9(12(14,15)16)7-5-6(13)3-4-8(7)17-10/h3-5,17H,2H2,1H3
InChI Key:
BIHDRPWSICJOMW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c2c(c1C(F)(F)F)cc(cc2)Cl
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.027g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
291.654g/mol
Monoisotopic Mass:
291.027g/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