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87789-80-8 | 2-Pyridinecarboxylicacid, 5-(3,4-dichlorophenyl)-
CAS No: 87789-80-8 Catalog No: AG004KY1 MDL No:
Product Description
Catalog Number:
AG004KY1
Chemical Name:
2-Pyridinecarboxylicacid, 5-(3,4-dichlorophenyl)-
CAS Number:
87789-80-8
Molecular Formula:
C12H7Cl2NO2
Molecular Weight:
268.0955
IUPAC Name:
5-(3,4-dichlorophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H7Cl2NO2/c13-9-3-1-7(5-10(9)14)8-2-4-11(12(16)17)15-6-8/h1-6H,(H,16,17)
InChI Key:
KYPHTSJGUPKXCS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cn1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.985g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.093g/mol
Monoisotopic Mass:
266.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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