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259675-84-8 | 4-Pyridinecarboxylic acid, 2-amino-3,5,6-trifluoro-, ethyl ester
CAS No: 259675-84-8 Catalog No: AG002R8L MDL No:MFCD03411686
Product Description
Catalog Number:
AG002R8L
Chemical Name:
4-Pyridinecarboxylic acid, 2-amino-3,5,6-trifluoro-, ethyl ester
CAS Number:
259675-84-8
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
MDL Number:
MFCD03411686
IUPAC Name:
ethyl 2-amino-3,5,6-trifluoropyridine-4-carboxylate
InChI:
InChI=1S/C8H7F3N2O2/c1-2-15-8(14)3-4(9)6(11)13-7(12)5(3)10/h2H2,1H3,(H2,12,13)
InChI Key:
UPKXZLOECBXQAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)c(N)nc(c1F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.151g/mol
Monoisotopic Mass:
220.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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