2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid
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![2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f5a09a8681c948c9a71848edc7f6444b.png "2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid")
2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid
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CAS No:
27728-33-2
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Formula:
C18H16Br2N2O6
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Chemical Name:
2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid
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Synonyms:
Indoferron;27728-33-2;Acetic acid, N-(5-(3,5-dibromo-4-oxo-2,5-cyclohexadienylideneamino)-2-hydroxy-3-methylbenzyl)iminodi-;NSC 117905;BRN 2793126;NSC117905;CHEMBL2010557;DTXSID90182081;ZINC5015085;NSC-117905;NCI60_004714;WLN: L6V DYJ BE FE DUNR DQ C1 E1N1VQ1VQ;2,2'-(5-(3,5-dibromo-4-oxocyclohexa-2,5-dienylideneamino)-2-hydroxy-3-methylbenzylazanediyl)diacetic acid;Acetic acid,5-dibromo-4-oxo-2,5-cyclohexadienylideneamino)-2-hydroxy-3-methylbenzyl]iminodi-;Glycine, N-(carboxymethyl)-N-((5-((3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)amino)-2-hydroxy-3-methylphenyl)methyl)- (9CI);Glycine,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]-
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CAS No:
2-[carboxymethyl-[[5-[(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-hydroxy-3-methylphenyl]methyl]amino]acetic acid Basic Attributes
516.1 g/mol
515.93546 g/mol
117905
DTXSID90182081
Computed Properties
Molecular Weight:516.1
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:515.93546
Monoisotopic Mass:513.93751
Topological Polar Surface Area:128
Heavy Atom Count:28
Complexity:708
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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