Home Carboxys ethyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate

ethyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate

CAS No.:
1414887-27-6
Catalog Number:
AG01A7OZ
Molecular Formula:
C8H8F3NO2
Molecular Weight:
207.1498
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Product Description
Catalog Number:
AG01A7OZ
Chemical Name:
ethyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate
CAS Number:
1414887-27-6
Molecular Formula:
C8H8F3NO2
Molecular Weight:
207.1498
MDL Number:
MFCD26516442
IUPAC Name:
ethyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C8H8F3NO2/c1-2-14-7(13)5-3-4-6(12-5)8(9,10)11/h3-4,12H,2H2,1H3
InChI Key:
XRENMYOMRGLFRI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc([nH]1)C(F)(F)F
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.152g/mol
Monoisotopic Mass:
207.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties