Benzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]-


Chemical Name: Benzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]-
CAS Number: 4091-99-0
Product Number: AG00I80J(AGN-PC-0C9YV9)
Synonyms:
MDL No:
Molecular Formula: C24H16Cl2O7
Molecular Weight: 487.2856

Identification/Properties


Properties
MP:
209-210 °C(lit.);
BP:
593.5°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Solubility:
DMF: soluble
Computed Properties
Molecular Weight:
487.285g/mol
XLogP3:
5.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
6
Exact Mass:
486.027g/mol
Monoisotopic Mass:
486.027g/mol
Topological Polar Surface Area:
99.1A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
717
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
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


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