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13067-94-2 | Quinoline, 2-chloro-5-nitro-
CAS No: 13067-94-2 Catalog No: AG000US6 MDL No:MFCD18448913
Product Description
Catalog Number:
AG000US6
Chemical Name:
Quinoline, 2-chloro-5-nitro-
CAS Number:
13067-94-2
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
MDL Number:
MFCD18448913
IUPAC Name:
2-chloro-5-nitroquinoline
InChI:
InChI=1S/C9H5ClN2O2/c10-9-5-4-6-7(11-9)2-1-3-8(6)12(13)14/h1-5H
InChI Key:
IICVTJMDHNPPOP-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(n1)cccc2[N+](=O)[O-]
NSC Number:
261562
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.601g/mol
Monoisotopic Mass:
208.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Discovery of a new antileishmanial hit in 8-nitroquinoline series. | European journal of medicinal chemistry 20120801 |
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