Home Halogens 5-chloro-8-nitroisoquinoline

5-chloro-8-nitroisoquinoline

CAS No.:
58142-95-3
Catalog Number:
AG01BESI
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
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Product Description
Catalog Number:
AG01BESI
Chemical Name:
5-chloro-8-nitroisoquinoline
CAS Number:
58142-95-3
Molecular Formula:
C9H5ClN2O2
Molecular Weight:
208.6012
MDL Number:
MFCD00179552
IUPAC Name:
5-chloro-8-nitroisoquinoline
InChI:
InChI=1S/C9H5ClN2O2/c10-8-1-2-9(12(13)14)7-5-11-4-3-6(7)8/h1-5H
InChI Key:
ALVRETDOJATHCM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cncc2)Cl
NSC Number:
252081
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:
2.6  
Properties