methyl 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoate
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methyl 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoate
structure -
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CAS No:
109282-63-5
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Formula:
C21H17IN2O3
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Chemical Name:
methyl 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoate
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Synonyms:
2'-iododihydrorhodamine 123;2'-iododihydrorhodamine 123, 125I-labeled;2-'-(127-125I)-iododihydrorhodamine;109282-63-5;2'-Iododihydrorhodamine 123;2'-(127-125I)-Iododihydrorhodamine;CHEMBL51830;methyl 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)benzoate;DTXSID20911083;Benzoic acid, 2-(3,6-diamino-4-iodo-9H-xanthen-9-yl)-, methyl ester
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CAS No:
Computed Properties
Molecular Weight:472.3
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:472.02839
Monoisotopic Mass:472.02839
Topological Polar Surface Area:87.6
Heavy Atom Count:27
Complexity:548
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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