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150519-70-3 | 1H-Isoindole-1,3(2H)-dione, 2-[[2-(bromomethyl)-5-chlorophenyl]sulfonyl]-
CAS No: 150519-70-3 Catalog No: AG001MOX MDL No:
Product Description
Catalog Number:
AG001MOX
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[2-(bromomethyl)-5-chlorophenyl]sulfonyl]-
CAS Number:
150519-70-3
Molecular Formula:
C15H9BrClNO4S
Molecular Weight:
414.6583
IUPAC Name:
1-(bromomethyl)-4-chlorobenzene;4-sulfonyl-3aH-isoindole-1,3-dione
InChI:
InChI=1S/C8H5NO4S.C7H6BrCl/c10-7-4-2-1-3-5(14(12)13)6(4)8(11)9-7;8-5-6-1-3-7(9)4-2-6/h1-3,6H,(H,9,10,11);1-4H,5H2
InChI Key:
DUGSHHCHEDGHPJ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1S(=O)(=O)N1C(=O)c2c(C1=O)cccc2)Cl
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.928g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
416.67g/mol
Monoisotopic Mass:
414.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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