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Home > Indoles and Oxindole > 1588441-27-3
1588441-27-3 | 1H-Indole, 2,3-dihydro-4-methyl-6-nitro-
CAS No: 1588441-27-3 Catalog No: AG001QXG MDL No:MFCD26743708
Product Description
Catalog Number:
AG001QXG
Chemical Name:
1H-Indole, 2,3-dihydro-4-methyl-6-nitro-
CAS Number:
1588441-27-3
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD26743708
IUPAC Name:
4-methyl-6-nitro-2,3-dihydro-1H-indole
InChI:
InChI=1S/C9H10N2O2/c1-6-4-7(11(12)13)5-9-8(6)2-3-10-9/h4-5,10H,2-3H2,1H3
InChI Key:
OTFXHUNYBBEOEL-UHFFFAOYSA-N
SMILES:
Cc1cc(cc2c1CCN2)[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:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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