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Home > Indoles and Oxindole > 83102-51-6
83102-51-6 | 1H-Indole, 2-(5-ethyl-3-methyl-4-isoxazolyl)-
CAS No: 83102-51-6 Catalog No: AG005BBX MDL No:
Product Description
Catalog Number:
AG005BBX
Chemical Name:
1H-Indole, 2-(5-ethyl-3-methyl-4-isoxazolyl)-
CAS Number:
83102-51-6
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
5-ethyl-4-(1H-indol-2-yl)-3-methyl-1,2-oxazole
InChI:
InChI=1S/C14H14N2O/c1-3-13-14(9(2)16-17-13)12-8-10-6-4-5-7-11(10)15-12/h4-8,15H,3H2,1-2H3
InChI Key:
SBTGTYNKIWQWDY-UHFFFAOYSA-N
SMILES:
CCc1onc(c1c1cc2c([nH]1)cccc2)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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