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Home > Indoles and Oxindole > 1697506-33-4
1697506-33-4 | 3-ethyl-5-nitro-2,3-dihydro-1H-indole
CAS No: 1697506-33-4 Catalog No: AG01BP5Y MDL No:MFCD30499913
Product Description
Catalog Number:
AG01BP5Y
Chemical Name:
3-ethyl-5-nitro-2,3-dihydro-1H-indole
CAS Number:
1697506-33-4
Molecular Formula:
C10H12N2O2
Molecular Weight:
192.2145
MDL Number:
MFCD30499913
IUPAC Name:
3-ethyl-5-nitro-2,3-dihydro-1H-indole
InChI:
InChI=1S/C10H12N2O2/c1-2-7-6-11-10-4-3-8(12(13)14)5-9(7)10/h3-5,7,11H,2,6H2,1H3
InChI Key:
UENAZBZJMJUDFU-UHFFFAOYSA-N
SMILES:
CCC1CNc2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.218g/mol
Monoisotopic Mass:
192.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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