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Home > Indoles and Oxindole > 289483-80-3
289483-80-3 | 1H-Indole, 4-methyl-7-nitro-
CAS No: 289483-80-3 Catalog No: AG002X5L MDL No:MFCD07780760
Product Description
Catalog Number:
AG002X5L
Chemical Name:
1H-Indole, 4-methyl-7-nitro-
CAS Number:
289483-80-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD07780760
IUPAC Name:
4-methyl-7-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O2/c1-6-2-3-8(11(12)13)9-7(6)4-5-10-9/h2-5,10H,1H3
InChI Key:
LXZHCIXJJSWNNT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1[nH]cc2)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:
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:
3
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