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1261932-98-2 | 2-Pyridinecarboxylic acid, 6-(3-chloro-5-fluorophenyl)-
CAS No: 1261932-98-2 Catalog No: AG000S7M MDL No:MFCD18317709
Product Description
Catalog Number:
AG000S7M
Chemical Name:
2-Pyridinecarboxylic acid, 6-(3-chloro-5-fluorophenyl)-
CAS Number:
1261932-98-2
Molecular Formula:
C12H7ClFNO2
Molecular Weight:
251.6409
MDL Number:
MFCD18317709
IUPAC Name:
6-(3-chloro-5-fluorophenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C12H7ClFNO2/c13-8-4-7(5-9(14)6-8)10-2-1-3-11(15-10)12(16)17/h1-6H,(H,16,17)
InChI Key:
ZGEQMAXVULGCLI-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)cc(c1)c1cccc(n1)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:
3.1
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