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833462-42-3 | Isoxazole, 3-(4-methoxyphenyl)-5-[(phenylseleno)methyl]-
CAS No: 833462-42-3 Catalog No: AG004SEY MDL No:
Product Description
Catalog Number:
AG004SEY
Chemical Name:
Isoxazole, 3-(4-methoxyphenyl)-5-[(phenylseleno)methyl]-
CAS Number:
833462-42-3
Molecular Formula:
C17H15NO2Se
Molecular Weight:
344.2665
IUPAC Name:
3-(4-methoxyphenyl)-5-(phenylselanylmethyl)-1,2-oxazole
InChI:
InChI=1S/C17H15NO2Se/c1-19-14-9-7-13(8-10-14)17-11-15(20-18-17)12-21-16-5-3-2-4-6-16/h2-11H,12H2,1H3
InChI Key:
WFTLZCUNYWIEDR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(c1)C[Se]c1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.027g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.283g/mol
Monoisotopic Mass:
345.027g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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