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113699-47-1 | 2,4-Imidazolidinedione, 1-[(5-bromo-1-naphthalenyl)sulfonyl]-
CAS No: 113699-47-1 Catalog No: AG0009CR MDL No:
Product Description
Catalog Number:
AG0009CR
Chemical Name:
2,4-Imidazolidinedione, 1-[(5-bromo-1-naphthalenyl)sulfonyl]-
CAS Number:
113699-47-1
Molecular Formula:
C13H9BrN2O4S
Molecular Weight:
369.1906
IUPAC Name:
1-(5-bromonaphthalen-1-yl)sulfonylimidazolidine-2,4-dione
InChI:
InChI=1S/C13H9BrN2O4S/c14-10-5-1-4-9-8(10)3-2-6-11(9)21(19,20)16-7-12(17)15-13(16)18/h1-6H,7H2,(H,15,17,18)
InChI Key:
LKSCCJOAZVHTSI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)N(C1)S(=O)(=O)c1cccc2c1cccc2Br
Properties
Complexity:
559
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.947g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.189g/mol
Monoisotopic Mass:
367.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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