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Home > Indoles and Oxindole > 179176-31-9
179176-31-9 | 1H-Indole, 2,3-dihydro-4-methyl-7-nitro-
CAS No: 179176-31-9 Catalog No: AG0026U1 MDL No:MFCD26743712
Product Description
Catalog Number:
AG0026U1
Chemical Name:
1H-Indole, 2,3-dihydro-4-methyl-7-nitro-
CAS Number:
179176-31-9
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD26743712
IUPAC Name:
4-methyl-7-nitro-2,3-dihydro-1H-indole
InChI:
InChI=1S/C9H10N2O2/c1-6-2-3-8(11(12)13)9-7(6)4-5-10-9/h2-3,10H,4-5H2,1H3
InChI Key:
SCFZFJRSCMUKHY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1NCC2)C
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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