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81743-90-0 | 8-(4-chlorophenyl)-9-selena-8-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
CAS No: 81743-90-0 Catalog No: AG005185 MDL No:
Product Description
Catalog Number:
AG005185
Chemical Name:
8-(4-chlorophenyl)-9-selena-8-azabicyclo[4.3.0]nona-1,3,5-trien-7-one
CAS Number:
81743-90-0
Molecular Formula:
C13H8ClNOSe
Molecular Weight:
308.6217
IUPAC Name:
2-(4-chlorophenyl)-1,2-benzoselenazol-3-one
InChI:
InChI=1S/C13H8ClNOSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17-15/h1-8H
InChI Key:
KIFWXWMOJVGFLN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1[se]c2c(c1=O)cccc2
NSC Number:
639763
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.634g/mol
Monoisotopic Mass:
308.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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