sodium;2-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate


Chemical Name: sodium;2-[(E)-(3-bromo-4-hydroxy-5-methylphenyl)-(3-bromo-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
CAS Number: 62625-30-3
Product Number: AG00IB23(AGN-PC-0472ZU)
Synonyms:
MDL No: MFCD00148896
Molecular Formula: C21H15Br2NaO5S
Molecular Weight: 562.2036

Identification/Properties


Properties
BP:
590.2°C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
562.204g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
561.888g/mol
Monoisotopic Mass:
559.89g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
30
Formal Charge:
0
Complexity:
874
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback