2-[2-[2-[2-[bis(carboxymethyl)amino]-4-fluorophenoxy]ethoxy]-N-(carboxymethyl)-5-fluoroanilino]acetic acid

Base Information

• Chemical Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-4-fluorophenoxy]ethoxy]-N-(carboxymethyl)-5-fluoroanilino]acetic acid
• CAS No.: 85233-22-3
• Molecular Formula: C22H22 F2 N2 O10
• Molecular Weight: 512.41
• DSSTox Substance ID: DTXSID001005714
• Nikkaji Number: J740.105A
• Mol file: 85233-22-3.mol

Synonyms:4,4'-difluoro-1,2-bis(2-aminophenoxy)ethane-N,N,N',N'-tetraacetic acid;4,4'-FBAPTA

Chemical Property of 2-[2-[2-[2-[bis(carboxymethyl)amino]-4-fluorophenoxy]ethoxy]-N-(carboxymethyl)-5-fluoroanilino]acetic acid

Chemical Property:

• PSA: 174.14000
• Density: 1.565
• LogP: 1.37380
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 15
• Exact Mass: 512.12425123
• Heavy Atom Count: 36
• Complexity: 679

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=C(C=C2)F)N(CC(=O)O)CC(=O)O

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