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101489-23-0 | 1H-Indole, 1-methyl-7-nitro-
CAS No: 101489-23-0 Catalog No: AG0004LK MDL No:MFCD23378869
Product Description
Catalog Number:
AG0004LK
Chemical Name:
1H-Indole, 1-methyl-7-nitro-
CAS Number:
101489-23-0
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD23378869
IUPAC Name:
1-methyl-7-nitroindole
InChI:
InChI=1S/C9H8N2O2/c1-10-6-5-7-3-2-4-8(9(7)10)11(12)13/h2-6H,1H3
InChI Key:
FUPIEEZTCMDMTO-UHFFFAOYSA-N
SMILES:
Cn1ccc2c1c(ccc2)[N+](=O)[O-]
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:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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