200,000+ products from a single source!
sales@angenechem.com
115974-04-4 | 3-Indolizinecarboxylic acid, 1-(trifluoromethyl)-, ethyl ester
CAS No: 115974-04-4 Catalog No: AG000H9D MDL No:
Product Description
Catalog Number:
AG000H9D
Chemical Name:
3-Indolizinecarboxylic acid, 1-(trifluoromethyl)-, ethyl ester
CAS Number:
115974-04-4
Molecular Formula:
C12H10F3NO2
Molecular Weight:
257.2085
IUPAC Name:
ethyl 1-(trifluoromethyl)indolizine-3-carboxylate
InChI:
InChI=1S/C12H10F3NO2/c1-2-18-11(17)10-7-8(12(13,14)15)9-5-3-4-6-16(9)10/h3-7H,2H2,1H3
InChI Key:
WLGCCPHQHRSLJU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(c2n1cccc2)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:
0
Isotope Atom Count:
0
Molecular Weight:
257.212g/mol
Monoisotopic Mass:
257.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.