2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid
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![2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6fd55522c4c44e42971914997fabb048.png "2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid")
2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid
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CAS No:
578003-95-9
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Formula:
C22H17BrN4O4
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Chemical Name:
2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid
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Synonyms:
ZINC2369471;AKOS001685023;{4-[(E)-(2-amino-3,7-dicyano-4,6-dimethyl-5H-cyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy}acetic acid;578003-95-9
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CAS No:
2-[4-[(E)-(2-amino-3,7-dicyano-4,6-dimethylcyclopenta[b]pyridin-5-ylidene)methyl]-2-bromo-6-methoxyphenoxy]acetic acid Basic Attributes
481.3 g/mol
480.04332 g/mol
Computed Properties
Molecular Weight:481.3
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:480.04332
Monoisotopic Mass:480.04332
Topological Polar Surface Area:142
Heavy Atom Count:31
Complexity:884
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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