7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid

Base Information

• Chemical Name: 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid
• CAS No.: 42360-28-1
• Molecular Formula: C14H8ClF2N3O4S
• DSSTox Substance ID: DTXSID201130448

Synonyms:SCHEMBL8707953;DTXSID201130448;7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid;42360-28-1

Chemical Property of 7-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-hydroxy-2-naphthalenesulfonic acid

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 386.9892109
• Heavy Atom Count: 25
• Complexity: 581

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=C(C=C(C=C2C=C1NC3=C(C(=NC(=N3)F)F)Cl)S(=O)(=O)O)O

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