1-amino-4-[3-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
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![1-amino-4-[3-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7413fae5ad30449b8797ce9412089521.png "1-amino-4-[3-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid")
1-amino-4-[3-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
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CAS No:
105936-74-1
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Formula:
C32H26ClN7O11S3
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Chemical Name:
1-amino-4-[3-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid
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Synonyms:
Reactive Blue 49;12236-92-9;1-amino-4-[3-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid;Reactive Blue 49;SCHEMBL8986185;ZINC195761534
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CAS No:
1-amino-4-[3-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2,4,6-trimethyl-5-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Basic Attributes
816.2 g/mol
815.0540959 g/mol
602-661-6
Computed Properties
Molecular Weight:816.2
XLogP3:4.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:9
Exact Mass:815.0540959
Monoisotopic Mass:815.0540959
Topological Polar Surface Area:323
Heavy Atom Count:54
Complexity:1740
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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