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Home > Indoles and Oxindole > 1695386-92-5
1695386-92-5 | 3,3-diethyl-7-nitro-2,3-dihydro-1H-indole
CAS No: 1695386-92-5 Catalog No: AG01BP6I MDL No:MFCD30499925
Product Description
Catalog Number:
AG01BP6I
Chemical Name:
3,3-diethyl-7-nitro-2,3-dihydro-1H-indole
CAS Number:
1695386-92-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD30499925
IUPAC Name:
3,3-diethyl-7-nitro-1,2-dihydroindole
InChI:
InChI=1S/C12H16N2O2/c1-3-12(4-2)8-13-11-9(12)6-5-7-10(11)14(15)16/h5-7,13H,3-4,8H2,1-2H3
InChI Key:
HUHDUNBASAFKGR-UHFFFAOYSA-N
SMILES:
CCC1(CC)CNc2c1cccc2[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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