Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, monosodium salt(9CI)


Chemical Name: Phenol,4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-, monosodium salt(9CI)
CAS Number: 102185-50-2
Product Number: AG0006U0(AGN-PC-0ORBCK)
Synonyms:
MDL No:
Molecular Formula: C19H12Br2NaO5S
Molecular Weight: 535.1583

Identification/Properties


Computed Properties
Molecular Weight:
534.15g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
533.857g/mol
Monoisotopic Mass:
531.859g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
800
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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