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141247-00-9 | Ethanone, 1-[3-(2-azidophenyl)-5-methyl-4-isoxazolyl]-
CAS No: 141247-00-9 Catalog No: AG001G5T MDL No:
Product Description
Catalog Number:
AG001G5T
Chemical Name:
Ethanone, 1-[3-(2-azidophenyl)-5-methyl-4-isoxazolyl]-
CAS Number:
141247-00-9
Molecular Formula:
C12H10N4O2
Molecular Weight:
242.2334
IUPAC Name:
1-[3-(2-azidophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
InChI:
InChI=1S/C12H10N4O2/c1-7(17)11-8(2)18-15-12(11)9-5-3-4-6-10(9)14-16-13/h3-6H,1-2H3
InChI Key:
CFOFQBHGOGPFMF-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccccc1c1noc(c1C(=O)C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.238g/mol
Monoisotopic Mass:
242.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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