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Home > Indoles and Oxindole > 91482-64-3
91482-64-3 | 1H-Indole, 1-ethyl-4-nitro-
CAS No: 91482-64-3 Catalog No: AG006A6E MDL No:
Product Description
Catalog Number:
AG006A6E
Chemical Name:
1H-Indole, 1-ethyl-4-nitro-
CAS Number:
91482-64-3
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
1-ethyl-4-nitroindole
InChI:
InChI=1S/C10H10N2O2/c1-2-11-7-6-8-9(11)4-3-5-10(8)12(13)14/h3-7H,2H2,1H3
InChI Key:
KYHWOTSHMZSQMZ-UHFFFAOYSA-N
SMILES:
CCn1ccc2c1cccc2[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:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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