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126088-20-8 | 4-Quinolinecarboxylic acid, 6-chloro-2-(4-chlorophenyl)-
CAS No: 126088-20-8 Catalog No: AG000RIQ MDL No:MFCD00034813
Product Description
Catalog Number:
AG000RIQ
Chemical Name:
4-Quinolinecarboxylic acid, 6-chloro-2-(4-chlorophenyl)-
CAS Number:
126088-20-8
Molecular Formula:
C16H9Cl2NO2
Molecular Weight:
318.1542
MDL Number:
MFCD00034813
IUPAC Name:
6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C16H9Cl2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
InChI Key:
ICGJQZNTTPOWLN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)O)Cl
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.001g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.153g/mol
Monoisotopic Mass:
317.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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