Home Nitros Isoquinoline,6-methoxy-5-nitro-

Isoquinoline,6-methoxy-5-nitro-

CAS No.:
72677-92-0
Catalog Number:
AG005Q5I
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
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Product Description
Catalog Number:
AG005Q5I
Chemical Name:
Isoquinoline,6-methoxy-5-nitro-
CAS Number:
72677-92-0
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD04973622
IUPAC Name:
6-methoxy-5-nitroisoquinoline
InChI:
InChI=1S/C10H8N2O3/c1-15-9-3-2-7-6-11-5-4-8(7)10(9)12(13)14/h2-6H,1H3
InChI Key:
NDSGVVYXJOCEOX-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])ccnc2
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties