3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol


Chemical Name: 3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-ol
CAS Number: 26723-60-4
Product Number: AG00I51W(AGN-PC-003388)
Synonyms:
MDL No:
Molecular Formula: C14H12ClNO3S
Molecular Weight: 309.7680

Identification/Properties


Properties
MP:
204 °C
BP:
482.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
309.764g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
309.023g/mol
Monoisotopic Mass:
309.023g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
464
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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