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868734-50-3 | 2-((4-Fluorophenyl);amino);isonicotinic acid
CAS No: 868734-50-3 Catalog No: AG004PH2 MDL No:MFCD11132136
Product Description
Catalog Number:
AG004PH2
Chemical Name:
2-((4-Fluorophenyl);amino);isonicotinic acid
CAS Number:
868734-50-3
Molecular Formula:
C12H9FN2O2
Molecular Weight:
232.2105
MDL Number:
MFCD11132136
IUPAC Name:
2-(4-fluoroanilino)pyridine-4-carboxylic acid
InChI:
InChI=1S/C12H9FN2O2/c13-9-1-3-10(4-2-9)15-11-7-8(12(16)17)5-6-14-11/h1-7H,(H,14,15)(H,16,17)
InChI Key:
IRCLDFRYCGKPSL-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Nc1nccc(c1)C(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.214g/mol
Monoisotopic Mass:
232.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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