Home Nitros 1-IsoquinolinaMine, 6-nitro-

1-IsoquinolinaMine, 6-nitro-

CAS No.:
681427-41-8
Catalog Number:
AG00G1PP
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG00G1PP
Chemical Name:
1-IsoquinolinaMine, 6-nitro-
CAS Number:
681427-41-8
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD18909152
IUPAC Name:
6-nitroisoquinolin-1-amine
InChI:
InChI=1S/C9H7N3O2/c10-9-8-2-1-7(12(13)14)5-6(8)3-4-11-9/h1-5H,(H2,10,11)
InChI Key:
JTRXGAXNRZCOSO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ccnc2N
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:
1.7  
Properties