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115491-60-6

115491-60-6 | Benzofuran, 7-chloro-4-nitro-

CAS No: 115491-60-6 Catalog No: AG000G2K MDL No:

Product Description

Catalog Number:
AG000G2K
Chemical Name:
Benzofuran, 7-chloro-4-nitro-
CAS Number:
115491-60-6
Molecular Formula:
C8H4ClNO3
Molecular Weight:
197.5753
IUPAC Name:
7-chloro-4-nitro-1-benzofuran
InChI:
InChI=1S/C8H4ClNO3/c9-6-1-2-7(10(11)12)5-3-4-13-8(5)6/h1-4H
InChI Key:
XSJMKWLQLBGJSJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cco2)Cl

Properties

Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.988g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.574g/mol
Monoisotopic Mass:
196.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

Literature

Title Journal
A sensitive HPLC method for the determination of fluoxetine and norfluoxetine in human plasma with fluorescence detection. Therapeutic drug monitoring 20050201

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