Compound C25H18ClN7O10S3

5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid

CAS: 29128-95-8

Molecular Formula	`C25H18ClN7O10S3`
Molecular Weight	708.1 g/mol
LogP	4.2
Topological Polar Surface Area	296.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	17
Rotatable Bonds	9
Exact Mass	706.9966
Heavy Atoms	46
Complexity	1400.0

Chemical Identifiers

CAS Number	29128-95-8
SMILES	`C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=CC=CC=C5S(=O)(=O)O)S(=O)(=O)O`
InChIKey	`YWERRMQUIDISQM-UHFFFAOYSA-N`

📖 Product Overview

Compound C25H18ClN7O10S3 (CAS: 29128-95-8) is a chemical compound with molecular formula C25H18ClN7O10S3 and molecular weight 708.1 g/mol. Its IUPAC systematic name is 5-[(4-anilino-6-chloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid. LogP 4.2 Topological Polar Surface Area 296.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 17 Rotatable Bonds 9 Exact Mass 706.9966 Heavy Atoms 46 Complexity 1400.0 InChI Key: YWERRMQUIDISQM-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)Cl)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=CC=CC=C5S(=O)(=O)O)S(=O)(=O)O.

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