Home Nitros 1-Methyl-3-nitro-1H-indole

1-Methyl-3-nitro-1H-indole

CAS No.:
36728-89-9
Catalog Number:
AG00D2T7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG00D2T7
Chemical Name:
1-Methyl-3-nitro-1H-indole
CAS Number:
36728-89-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD13178597
IUPAC Name:
1-methyl-3-nitroindole
InChI:
InChI=1S/C9H8N2O2/c1-10-6-9(11(12)13)7-4-2-3-5-8(7)10/h2-6H,1H3
InChI Key:
SDNGVFXIFVLBAJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c2c1cccc2)C
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties