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Home > Indoles and Oxindole > 87149-49-3
87149-49-3 | 1H-Indole, 5-(2-nitroethyl)-
CAS No: 87149-49-3 Catalog No: AG004KIQ MDL No:
Product Description
Catalog Number:
AG004KIQ
Chemical Name:
1H-Indole, 5-(2-nitroethyl)-
CAS Number:
87149-49-3
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
5-(2-nitroethyl)-1H-indole
InChI:
InChI=1S/C10H10N2O2/c13-12(14)6-4-8-1-2-10-9(7-8)3-5-11-10/h1-3,5,7,11H,4,6H2
InChI Key:
WDVRSQXNGVFUSU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCc1ccc2c(c1)cc[nH]2
Properties
Complexity:
215
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:
1
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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