5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;hydrochloride


Chemical Name: 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid;hydrochloride
CAS Number: 51306-35-5
Product Number: AG00D8FZ(AGN-PC-00UN6Z)
Synonyms:
MDL No: MFCD00051407
Molecular Formula: C23H12Cl2N4O5
Molecular Weight: 495.2712

Identification/Properties


Properties
Storage:
-10 ℃;
Computed Properties
Molecular Weight:
495.272g/mol
XLogP3:
5.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
2
Exact Mass:
494.018g/mol
Monoisotopic Mass:
494.018g/mol
Topological Polar Surface Area:
127A^2
Heavy Atom Count:
34
Formal Charge:
0
Complexity:
759
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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