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833462-43-4

833462-43-4 | Isoxazole, 4,5-dihydro-3-phenyl-5-[(phenylseleno)methyl]-

CAS No: 833462-43-4 Catalog No: AG004W8B MDL No:

Product Description

Catalog Number:
AG004W8B
Chemical Name:
Isoxazole, 4,5-dihydro-3-phenyl-5-[(phenylseleno)methyl]-
CAS Number:
833462-43-4
Molecular Formula:
C16H15NOSe
Molecular Weight:
316.2564
IUPAC Name:
3-phenyl-5-(phenylselanylmethyl)-4,5-dihydro-1,2-oxazole
InChI:
InChI=1S/C16H15NOSe/c1-3-7-13(8-4-1)16-11-14(18-17-16)12-19-15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChI Key:
ANILYNKZGSMZIV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)[Se]CC1ON=C(C1)c1ccccc1

Properties

Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.032g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.273g/mol
Monoisotopic Mass:
317.032g/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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