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116734-19-1 | 4-Quinolinecarboxylic acid, 6-chloro-2-(4-hydroxyphenyl)-
CAS No: 116734-19-1 Catalog No: AG000D4Z MDL No:MFCD03421922
Product Description
Catalog Number:
AG000D4Z
Chemical Name:
4-Quinolinecarboxylic acid, 6-chloro-2-(4-hydroxyphenyl)-
CAS Number:
116734-19-1
Molecular Formula:
C16H10ClNO3
Molecular Weight:
299.7085
MDL Number:
MFCD03421922
IUPAC Name:
6-chloro-2-(4-hydroxyphenyl)quinoline-4-carboxylic acid
InChI:
InChI=1S/C16H10ClNO3/c17-10-3-6-14-12(7-10)13(16(20)21)8-15(18-14)9-1-4-11(19)5-2-9/h1-8,19H,(H,20,21)
InChI Key:
DXXWWEZKXRRXHR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)O)Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.035g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.71g/mol
Monoisotopic Mass:
299.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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