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828939-58-8 | Isoxazole, 3-(4-bromophenyl)-4,5-dihydro-5-[(phenylseleno)methyl]-
CAS No: 828939-58-8 Catalog No: AG004RNU MDL No:
Product Description
Catalog Number:
AG004RNU
Chemical Name:
Isoxazole, 3-(4-bromophenyl)-4,5-dihydro-5-[(phenylseleno)methyl]-
CAS Number:
828939-58-8
Molecular Formula:
C16H14BrNOSe
Molecular Weight:
395.1525
IUPAC Name:
3-(4-bromophenyl)-5-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C16H14BrNOSe/c17-13-8-6-12(7-9-13)16-10-14(19-18-16)11-20-15-4-2-1-3-5-15/h1-9,14H,10-11H2
InChI Key:
DOZIABJIBGLVTJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C1=NOC(C1)C[Se]c1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.942g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.169g/mol
Monoisotopic Mass:
394.942g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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