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1009662-98-9 | Imidazo[1,2-a]pyrimidine-6-carboxylic acid, 7-(trifluoromethyl)-, ethyl ester
CAS No: 1009662-98-9 Catalog No: AG0003BX MDL No:
Product Description
Catalog Number:
AG0003BX
Chemical Name:
Imidazo[1,2-a]pyrimidine-6-carboxylic acid, 7-(trifluoromethyl)-, ethyl ester
CAS Number:
1009662-98-9
Molecular Formula:
C10H8F3N3O2
Molecular Weight:
259.1846
IUPAC Name:
ethyl 7-(trifluoromethyl)imidazo[1,2-a]pyrimidine-6-carboxylate
InChI:
InChI=1S/C10H8F3N3O2/c1-2-18-8(17)6-5-16-4-3-14-9(16)15-7(6)10(11,12)13/h3-5H,2H2,1H3
InChI Key:
AGHZMBRXMYJRDI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn2ccnc2nc1C(F)(F)F
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.188g/mol
Monoisotopic Mass:
259.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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