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Home > Indoles and Oxindole > 1003858-64-7
1003858-64-7 | 1H-Indole, 6-methyl-5-nitro-
CAS No: 1003858-64-7 Catalog No: AG0001US MDL No:
Product Description
Catalog Number:
AG0001US
Chemical Name:
1H-Indole, 6-methyl-5-nitro-
CAS Number:
1003858-64-7
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
6-methyl-5-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O2/c1-6-4-8-7(2-3-10-8)5-9(6)11(12)13/h2-5,10H,1H3
InChI Key:
QFYZRVODMHFKKF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc[nH]c2cc1C
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:
2.2
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