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Home > Indoles and Oxindole > 133053-76-6
133053-76-6 | 1H-Indole, 3-methyl-6-nitro-
CAS No: 133053-76-6 Catalog No: AG0011L7 MDL No:MFCD00962289
Product Description
Catalog Number:
AG0011L7
Chemical Name:
1H-Indole, 3-methyl-6-nitro-
CAS Number:
133053-76-6
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD00962289
IUPAC Name:
3-methyl-6-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O2/c1-6-5-10-9-4-7(11(12)13)2-3-8(6)9/h2-5,10H,1H3
InChI Key:
FXOBRUMCGPOJLL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]cc2C
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:
2.4
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