Home Nitros 5-Isoquinolinamine, 8-nitro-

5-Isoquinolinamine, 8-nitro-

CAS No.:
156901-58-5
Catalog Number:
AG001P3J
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG001P3J
Chemical Name:
5-Isoquinolinamine, 8-nitro-
CAS Number:
156901-58-5
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD00837756
IUPAC Name:
8-nitroisoquinolin-5-amine
InChI:
InChI=1S/C9H7N3O2/c10-8-1-2-9(12(13)14)7-5-11-4-3-6(7)8/h1-5H,10H2
InChI Key:
QKGFZLNYZKMJBQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cncc2)N
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties