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Home > Indoles and Oxindole > 21005-48-1
21005-48-1 | 1H-Indole, 5-(2-nitroethenyl)-
CAS No: 21005-48-1 Catalog No: AG002KKP MDL No:
Product Description
Catalog Number:
AG002KKP
Chemical Name:
1H-Indole, 5-(2-nitroethenyl)-
CAS Number:
21005-48-1
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
IUPAC Name:
5-(2-nitroethenyl)-1H-indole
InChI:
InChI=1S/C10H8N2O2/c13-12(14)6-4-8-1-2-10-9(7-8)3-5-11-10/h1-7,11H
InChI Key:
XEFIVGQCEDZMHM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=Cc1ccc2c(c1)cc[nH]2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.186g/mol
Monoisotopic Mass:
188.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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