3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
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![3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/4925c63815564f7fa4e5ca36760c4b09.png "3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid")
3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
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CAS No:
113942-32-8
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Formula:
C7H6ClN5O3
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Chemical Name:
3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
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Synonyms:
3-(2-chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid;3-COITC;113942-32-8;3-Coitc;NSC382056;ACMC-20mjd5;CHEMBL31897;SCHEMBL10644355;DTXSID20921243;ZINC1482771;3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid;NSC-382056;3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo(5,1-a)-1,2,3,5-tetrazine-8-carboxylic acid;3-(2-Chloroethyl)-4-oxo-3H-imidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxylic acid;Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylicacid, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-;3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxylic acid;3-(2-chloroethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid;Imidazo(5,1-a)-1,2,3,5-tetrazine-8-carboxylic acid, 3-(2-chloroethyl)-3,4-dihydro-4-oxo-
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CAS No:
3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid Basic Attributes
243.61 g/mol
243.0159168 g/mol
382056
Computed Properties
Molecular Weight:243.61
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:243.0159168
Monoisotopic Mass:243.0159168
Topological Polar Surface Area:100
Heavy Atom Count:16
Complexity:349
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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