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2060030-29-5 | 1-ethyl-4-nitro-1H-indole-3-carbaldehyde
CAS No: 2060030-29-5 Catalog No: AG01BZ6U MDL No:MFCD30488237
Product Description
Catalog Number:
AG01BZ6U
Chemical Name:
1-ethyl-4-nitro-1H-indole-3-carbaldehyde
CAS Number:
2060030-29-5
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD30488237
IUPAC Name:
1-ethyl-4-nitroindole-3-carbaldehyde
InChI:
InChI=1S/C11H10N2O3/c1-2-12-6-8(7-14)11-9(12)4-3-5-10(11)13(15)16/h3-7H,2H2,1H3
InChI Key:
UXUIPDIMJNCHJY-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1c(ccc2)[N+](=O)[O-])CC
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.212g/mol
Monoisotopic Mass:
218.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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