3-bromanyl-4-methyl-benzoyl chloride; N-ethylethanamine; dihydrochloride

Systemtic Name: 3-bromanyl-4-methyl-benzoyl chloride; N-ethylethanamine; dihydrochloride Openeye Name: 3-bromo-4-methyl-benzoyl chloride; N-ethylethanamine; dihydrochloride CAS Name: 3-bromo-4-methylbenzoyl chloride; N-ethylethanamine; dihydrochloride IUPAC Name: 3-bromo-4-methylbenzoyl chloride; N-ethylethanamine; dihydrochloride Traditional Name: 3-bromo-4-methyl-benzoyl chloride; diethylamine; dihydrochloride Formula: C12H19BrCl3NO MolecularWeight: 379.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC1=C(C=C(C=C1)C(=O)Cl)Br.Cl.Cl

Isomeric SMILES

CCNCC.CC1=C(C=C(C=C1)C(=O)Cl)Br.Cl.Cl

InChI

InChI=1S/C8H6BrClO.C4H11N.2ClH/c1-5-2-3-6(8(10)11)4-7(5)9;1-3-5-4-2;;/h2-4H,1H3;5H,3-4H2,1-2H3;2*1H