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114259-73-3 | Benzoic acid, 5-[(7-chloro-4-quinolinyl)amino]-2-hydroxy-
CAS No: 114259-73-3 Catalog No: AG000AXH MDL No:
Product Description
Catalog Number:
AG000AXH
Chemical Name:
Benzoic acid, 5-[(7-chloro-4-quinolinyl)amino]-2-hydroxy-
CAS Number:
114259-73-3
Molecular Formula:
C16H11ClN2O3
Molecular Weight:
314.7231
IUPAC Name:
5-[(7-chloroquinolin-4-yl)amino]-2-hydroxybenzoic acid
InChI:
InChI=1S/C16H11ClN2O3/c17-9-1-3-11-13(5-6-18-14(11)7-9)19-10-2-4-15(20)12(8-10)16(21)22/h1-8,20H,(H,18,19)(H,21,22)
InChI Key:
YYIHFZGBMOICLI-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nccc2Nc1ccc(c(c1)C(=O)O)O
NSC Number:
602119
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.046g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.725g/mol
Monoisotopic Mass:
314.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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