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Home > Indoles and Oxindole > 144202-97-1
144202-97-1 | 1H-Indole, 3-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]-2-phenyl-
CAS No: 144202-97-1 Catalog No: AG001J43 MDL No:
Product Description
Catalog Number:
AG001J43
Chemical Name:
1H-Indole, 3-[2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]-2-phenyl-
CAS Number:
144202-97-1
Molecular Formula:
C20H15N3O3
Molecular Weight:
345.3514
IUPAC Name:
3-methyl-4-nitro-5-[2-(2-phenyl-1H-indol-3-yl)ethenyl]-1,2-oxazole
InChI:
InChI=1S/C20H15N3O3/c1-13-20(23(24)25)18(26-22-13)12-11-16-15-9-5-6-10-17(15)21-19(16)14-7-3-2-4-8-14/h2-12,21H,1H3
InChI Key:
DPOVTZJZXZRBHB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C=Cc2c([nH]c3c2cccc3)c2ccccc2)onc1C
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.111g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
345.358g/mol
Monoisotopic Mass:
345.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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