CAS
2998-18-7 Purity
96%
2998-18-7 Purity
96%
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Specification
PubChem CID 103001
The molecular formula is C7H15BrO2.
The molecular weight is 211.10 g/mol.
The IUPAC name is 2-bromo-1,1-diethoxypropane.
The InChI is InChI=1S/C7H15BrO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5H2,1-3H3.
The InChIKey is AHIUAFXWZKCJLR-UHFFFAOYSA-N.
The canonical SMILES is CCOC(C(C)Br)OCC.
The CAS number is 3400-55-3.
The EC number is 222-270-0.
Yes, it is canonicalized.