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1227048-89-6 | 3-Pyridinecarboxylic acid, 2-amino-5-(trifluoromethyl)-, methyl ester
CAS No: 1227048-89-6 Catalog No: AG000J0P MDL No:MFCD16611586
Product Description
Catalog Number:
AG000J0P
Chemical Name:
3-Pyridinecarboxylic acid, 2-amino-5-(trifluoromethyl)-, methyl ester
CAS Number:
1227048-89-6
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
MDL Number:
MFCD16611586
IUPAC Name:
methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C8H7F3N2O2/c1-15-7(14)5-2-4(8(9,10)11)3-13-6(5)12/h2-3H,1H3,(H2,12,13)
InChI Key:
OJQOTGQGUUMFLP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cnc1N)C(F)(F)F
Properties
Complexity:
245
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:
2
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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