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The molecular formula is C12H18BrNO2.
The PubChem CID is 90477926.
The synonyms are N-(4-bromobutyl)cyclohexane-1,2-dicarboximide and 99012-87-0.
The molecular weight is 288.18 g/mol.
The IUPAC name is (3aS,7aR)-2-(4-bromobutyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
The InChI is InChI=1S/C12H18BrNO2/c13-7-3-4-8-14-11(15)9-5-1-2-6-10(9)12(14)16/h9-10H,1-8H2/t9-,10+.
The InChIKey is SRPOBUPCZPCBAU-AOOOYVTPSA-N.
The canonical SMILES is C1CCC2C(C1)C(=O)N(C2=O)CCCCBr.
The XLogP3-AA value is 2.3.
It has 2 hydrogen bond acceptor counts and 0 hydrogen bond donor counts.
99010-24-9
99010-64-7
99012-40-5
99017-83-1
99018-65-2
990207
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