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833462-35-4 | Isoxazole, 3-phenyl-5-[(phenylseleno)methyl]-
CAS No: 833462-35-4 Catalog No: AG008I3O MDL No:
Product Description
Catalog Number:
AG008I3O
Chemical Name:
Isoxazole, 3-phenyl-5-[(phenylseleno)methyl]-
CAS Number:
833462-35-4
Molecular Formula:
C16H13NOSe
Molecular Weight:
314.2405
IUPAC Name:
3-phenyl-5-(phenylselanylmethyl)-1,2-oxazole
InChI:
InChI=1S/C16H13NOSe/c1-3-7-13(8-4-1)16-11-14(18-17-16)12-19-15-9-5-2-6-10-15/h1-11H,12H2
InChI Key:
PPECPBMIDJEOOD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)[Se]Cc1onc(c1)c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.016g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.257g/mol
Monoisotopic Mass:
315.016g/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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