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833462-32-1 | Isoxazole, 3-(4-methylphenyl)-5-[(phenylseleno)methyl]-
CAS No: 833462-32-1 Catalog No: AG008I3P MDL No:
Product Description
Catalog Number:
AG008I3P
Chemical Name:
Isoxazole, 3-(4-methylphenyl)-5-[(phenylseleno)methyl]-
CAS Number:
833462-32-1
Molecular Formula:
C17H15NOSe
Molecular Weight:
328.2671
IUPAC Name:
3-(4-methylphenyl)-5-(phenylselanylmethyl)-1,2-oxazole
InChI:
InChI=1S/C17H15NOSe/c1-13-7-9-14(10-8-13)17-11-15(19-18-17)12-20-16-5-3-2-4-6-16/h2-11H,12H2,1H3
InChI Key:
OOVUFWDZTJOLCW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(c1)C[Se]c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.032g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.284g/mol
Monoisotopic Mass:
329.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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