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81099-86-7 | 4-((7-Chloroquinolin-4-yl)amino)phenol
CAS No: 81099-86-7 Catalog No: AG003NEE MDL No:
Product Description
Catalog Number:
AG003NEE
Chemical Name:
4-((7-Chloroquinolin-4-yl)amino)phenol
CAS Number:
81099-86-7
Molecular Formula:
C15H11ClN2O
Molecular Weight:
270.7136
IUPAC Name:
4-[(7-chloroquinolin-4-yl)amino]phenol
InChI:
InChI=1S/C15H11ClN2O/c16-10-1-6-13-14(7-8-17-15(13)9-10)18-11-2-4-12(19)5-3-11/h1-9,19H,(H,17,18)
InChI Key:
FFAVTICKABAMSV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Nc1ccnc2c1ccc(c2)Cl
NSC Number:
12488
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.716g/mol
Monoisotopic Mass:
270.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Pharmacophore based discovery of potential antimalarial agent targeting haem detoxification pathway. | European journal of medicinal chemistry 20081201 |
| Investigation of amodiaquine bulk drug impurities by liquid chromatography/ion trap mass spectrometry. | Rapid communications in mass spectrometry : RCM 20080701 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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