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1261964-74-2 | 3-Pyridinecarboxylic acid, 5-(3-chloro-5-fluorophenyl)-
CAS No: 1261964-74-2 Catalog No: AG000S9B MDL No:
Product Description
Catalog Number:
AG000S9B
Chemical Name:
3-Pyridinecarboxylic acid, 5-(3-chloro-5-fluorophenyl)-
CAS Number:
1261964-74-2
Molecular Formula:
C12H7ClFNO2
Molecular Weight:
251.6409
IUPAC Name:
5-(3-chloro-5-fluorophenyl)pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H7ClFNO2/c13-10-2-7(3-11(14)4-10)8-1-9(12(16)17)6-15-5-8/h1-6H,(H,16,17)
InChI Key:
HTINWWOOVHVSGU-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)c1cncc(c1)C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.641g/mol
Monoisotopic Mass:
251.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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