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Home > Indoles and Oxindole > 61861-90-3
61861-90-3 | 3-methyl-7-nitro-1H-indole
CAS No: 61861-90-3 Catalog No: AG01BIAF MDL No:MFCD13178532
Product Description
Catalog Number:
AG01BIAF
Chemical Name:
3-methyl-7-nitro-1H-indole
CAS Number:
61861-90-3
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD13178532
IUPAC Name:
3-methyl-7-nitro-1H-indole
InChI:
InChI=1S/C9H8N2O2/c1-6-5-10-9-7(6)3-2-4-8(9)11(12)13/h2-5,10H,1H3
InChI Key:
GZRVOGFFSZRUDC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1[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:
2.2
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