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81743-93-3 | ethyl 4-(7-oxo-9-selena-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)benzoate
CAS No: 81743-93-3 Catalog No: AG005184 MDL No:
Product Description
Catalog Number:
AG005184
Chemical Name:
ethyl 4-(7-oxo-9-selena-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)benzoate
CAS Number:
81743-93-3
Molecular Formula:
C16H13NO3Se
Molecular Weight:
346.2393
IUPAC Name:
ethyl 4-(3-oxo-1,2-benzoselenazol-2-yl)benzoate
InChI:
InChI=1S/C16H13NO3Se/c1-2-20-16(19)11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)21-17/h3-10H,2H2,1H3
InChI Key:
HZHSBIKDHMXFAA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)n1[se]c2c(c1=O)cccc2
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.006g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.255g/mol
Monoisotopic Mass:
347.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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