Home Nitros 2-Methyl-5-nitro-1H-indole

2-Methyl-5-nitro-1H-indole

CAS No.:
7570-47-0
Catalog Number:
AG008PJO
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG008PJO
Chemical Name:
2-Methyl-5-nitro-1H-indole
CAS Number:
7570-47-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD00090335
IUPAC Name:
2-methyl-5-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
InChI Key:
IDJGRXQMAHESOD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc([nH]2)C
NSC Number:
131898
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:
1  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties