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1227489-68-0 | 3-Pyridinecarboxylic acid, 2-amino-4-(trifluoromethyl)-
CAS No: 1227489-68-0 Catalog No: AG000J90 MDL No:MFCD16606257
Product Description
Catalog Number:
AG000J90
Chemical Name:
3-Pyridinecarboxylic acid, 2-amino-4-(trifluoromethyl)-
CAS Number:
1227489-68-0
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD16606257
IUPAC Name:
2-amino-4-(trifluoromethyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H5F3N2O2/c8-7(9,10)3-1-2-12-5(11)4(3)6(13)14/h1-2H,(H2,11,12)(H,13,14)
InChI Key:
HLNBKIZJWCGTIO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)nccc1C(F)(F)F
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.03g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.124g/mol
Monoisotopic Mass:
206.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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