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833462-31-0

833462-31-0 | Isoxazole, 3-(4-bromophenyl)-5-[(phenylseleno)methyl]-

CAS No: 833462-31-0 Catalog No: AG004W8G MDL No:

Product Description

Catalog Number:
AG004W8G
Chemical Name:
Isoxazole, 3-(4-bromophenyl)-5-[(phenylseleno)methyl]-
CAS Number:
833462-31-0
Molecular Formula:
C16H12BrNOSe
Molecular Weight:
393.1366
IUPAC Name:
3-(4-bromophenyl)-5-(phenylselanylmethyl)-1,2-oxazole
InChI:
InChI=1S/C16H12BrNOSe/c17-13-8-6-12(7-9-13)16-10-14(19-18-16)11-20-15-4-2-1-3-5-15/h1-10H,11H2
InChI Key:
OUZBKTAGSTYNKD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1noc(c1)C[Se]c1ccccc1

Properties

Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.927g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.153g/mol
Monoisotopic Mass:
392.927g/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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