93765-83-4 Purity
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Specification
The molecular formula of 3-Bromoadamantane-1-carboxamide is C11H16BrNO.
The molecular weight of 3-Bromoadamantane-1-carboxamide is 258.15 g/mol.
The IUPAC name of 3-Bromoadamantane-1-carboxamide is 3-bromoadamantane-1-carboxamide.
The InChI of 3-Bromoadamantane-1-carboxamide is InChI=1S/C11H16BrNO/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H2,13,14).
The InChIKey of 3-Bromoadamantane-1-carboxamide is SUSXMUKHFSYNND-UHFFFAOYSA-N.
The canonical SMILES of 3-Bromoadamantane-1-carboxamide is C1C2CC3(CC1CC(C2)(C3)Br)C(=O)N.
The CAS number of 3-Bromoadamantane-1-carboxamide is 53263-89-1.
The ChEMBL ID of 3-Bromoadamantane-1-carboxamide is CHEMBL1978282.
The XLogP3-AA value of 3-Bromoadamantane-1-carboxamide is 1.7.
Yes, 3-Bromoadamantane-1-carboxamide is a canonicalized compound.