Home Nitros Isoquinoline,4-methyl-5-nitro-

Isoquinoline,4-methyl-5-nitro-

CAS No.:
194032-17-2
Catalog Number:
AG007RSQ
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
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Product Description
Catalog Number:
AG007RSQ
Chemical Name:
Isoquinoline,4-methyl-5-nitro-
CAS Number:
194032-17-2
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD09753593
IUPAC Name:
4-methyl-5-nitroisoquinoline
InChI:
InChI=1S/C10H8N2O2/c1-7-5-11-6-8-3-2-4-9(10(7)8)12(13)14/h2-6H,1H3
InChI Key:
RDIJVEJSTUYLCI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(C)cnc2
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties