75198-93-5
SODIUM 5-[[4-ACETAMIDO-2-(TRIFLUOROMETHYL)PHENYL]AZO]-6-AMINO-4-HYDROXYNAPHTHALENE-2-SULPHONATE
Name
SODIUM 5-[[4-ACETAMIDO-2-(TRIFLUOROMETHYL)PHENYL]AZO]-6-AMINO-4-HYDROXYNAPHTHALENE-2-SULPHONATE
Formula
C19 H14 F3 N4 O5 S . Na
MolWeight
490.393
1Identification
【Name】
SODIUM 5-[[4-ACETAMIDO-2-(TRIFLUOROMETHYL)PHENYL]AZO]-6-AMINO-4-HYDROXYNAPHTHALENE-2-SULPHONATE
【CAS】
【MDL】
MFCD23142877
【English Synonyms】
【Formula】
C19 H14 F3 N4 O5 S . Na
【MolWeight】
490.393
【Inchi】
InChI=1S/C19H15F3N4O5S.Na/c1-9(27)24-11-3-5-15(13(7-11)19(20,21)22)25-26-18-14(23)4-2-10-6-12(32(29,30)31)8-16(28)17(10)18;/h2-8,28H,23H2,1H3,(H,24,27)(H,29,30,31);/q;+1/p-1/b26-25+;
【InChIKey】
InChIKey=CGUIEABQHWOFCD-BTKVJIOYSA-M
【SMILES】
CC(=O)Nc1ccc(c(c1)C(F)(F)F)/N=N/c2c(ccc3c2c(cc(c3)S(=O)(=O)[O-])O)N.[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F