16793-90-1 Purity
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Specification
The molecular formula of 2-Bromoheptane is C7H15Br.
The molecular weight of 2-Bromoheptane is 179.10 g/mol.
The IUPAC name of 2-Bromoheptane is 2-bromoheptane.
The InChI of 2-Bromoheptane is InChI=1S/C7H15Br/c1-3-4-5-6-7(2)8/h7H,3-6H2,1-2H3.
The InChIKey of 2-Bromoheptane is HLAUCEOFCOXKNF-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromoheptane is CCCCCC(C)Br.
The CAS number of 2-Bromoheptane is 1974-04-5.
The XLogP3 value of 2-Bromoheptane is 3.8.
2-Bromoheptane has 4 rotatable bonds.
Yes, 2-Bromoheptane is a canonicalized compound according to PubChem.