DTXSID101023999

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

CAS: 112027-18-6

Molecular Formula	`C28H24ClN7O10S3`
Molecular Weight	750.2 g/mol
LogP	5.0
Topological Polar Surface Area	287.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	17
Rotatable Bonds	10
Exact Mass	749.0435
Heavy Atoms	49
Complexity	1490.0

Chemical Identifiers

CAS Number	112027-18-6
SMILES	`CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O)Cl`
InChIKey	`JZDBXCVOHRQNDX-UHFFFAOYSA-N`

📖 Product Overview

DTXSID101023999 (CAS: 112027-18-6) is a chemical compound with molecular formula C28H24ClN7O10S3 and molecular weight 750.2 g/mol. Its IUPAC systematic name is 5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid. LogP 5.0 Topological Polar Surface Area 287.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 17 Rotatable Bonds 10 Exact Mass 749.0435 Heavy Atoms 49 Complexity 1490.0 InChI Key: JZDBXCVOHRQNDX-UHFFFAOYSA-N. SMILES: CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C(=C4O)N=NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O)Cl.

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