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1214333-19-3 | 2-Pyridinecarboxylic acid, 3-nitro-5-(trifluoromethyl)-
CAS No: 1214333-19-3 Catalog No: AG0014T3 MDL No:MFCD14702311
Product Description
Catalog Number:
AG0014T3
Chemical Name:
2-Pyridinecarboxylic acid, 3-nitro-5-(trifluoromethyl)-
CAS Number:
1214333-19-3
Molecular Formula:
C7H3F3N2O4
Molecular Weight:
236.1049
MDL Number:
MFCD14702311
IUPAC Name:
3-nitro-5-(trifluoromethyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C7H3F3N2O4/c8-7(9,10)3-1-4(12(15)16)5(6(13)14)11-2-3/h1-2H,(H,13,14)
InChI Key:
VFMOFYUJXZZVGL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1C(=O)O)C(F)(F)F
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.004g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.106g/mol
Monoisotopic Mass:
236.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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