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179024-67-0 | 3-Quinolinecarboxylic acid, 4-chloro-6-fluoro-
CAS No: 179024-67-0 Catalog No: AG0026PD MDL No:MFCD06255123
Product Description
Catalog Number:
AG0026PD
Chemical Name:
3-Quinolinecarboxylic acid, 4-chloro-6-fluoro-
CAS Number:
179024-67-0
Molecular Formula:
C10H5ClFNO2
Molecular Weight:
225.6036
MDL Number:
MFCD06255123
IUPAC Name:
4-chloro-6-fluoroquinoline-3-carboxylic acid
InChI:
InChI=1S/C10H5ClFNO2/c11-9-6-3-5(12)1-2-8(6)13-4-7(9)10(14)15/h1-4H,(H,14,15)
InChI Key:
NEMDTRIVHUEXJW-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(Cl)c(cn2)C(=O)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.603g/mol
Monoisotopic Mass:
224.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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