AC1NURSD

trisodium;4-[[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-5-methylbenzene-1,3-disulfonate

Also Known As: 1,3-Benzenedisulfonic acid, 4-((6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-methyl-, trisodium salt|1,3-Benzenedisulfonic acid, 4-(2-(6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-5-methyl-, sodium salt (1:3)|1,3-Benzenedisulfonic acid, 4-[[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-5-methyl-, trisodium salt|1,3-Benzenedisulfonic acid, 4-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-5-methyl-, sodium salt (1:3)|trisodium2-[[6-[ amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]toluene-3,5-disulphonate|1,3-Benzenedisulfonicacid,4-[2-[6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-5-methyl-,sodium salt (1:3)|Trisodium 2-((6-((5-chloro-2,6-difluoropyrimidin-4-yl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)toluene-3,5-disulphonate|TRISODIUM 2-[[6-[(5-CHLORO-2,6-DIFLUOROPYRIMIDIN-4-YL)AMINO]-1-HYDROXY-3-SULPHONATO-2-NAPHTHYL]AZO]TOLUENE-3,5-DISULPHONATE|Trisodium 4-({6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl}diazenyl)-5-methylbenzene-1,3-disulfonate|trisodium 4-[(2E)-2-[6-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]-5-methylbenzene-1,3-disulfonate

Molecular Formula	C21H11ClF2N5Na3O10S3
Molecular Weight	730.9018 g/mol
LogP	-5.54128
Topological Polar Surface Area	280.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	17
Rotatable Bonds	4
Exact Mass	730.9018
Monoisotopic Mass	730.9018
Heavy Atoms	45
Complexity	1290.0

Chemical Identifiers

CAS Number	69121-15-9
SMILES	CC1=CC(=CC(=C1N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=C(C(=NC(=N4)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChIKey	IUUGODBEMSMQCX-UHFFFAOYSA-K