156150-67-3 Purity
96%
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Specification
The IUPAC name for 1-Bromo-2,3,5,6-tetramethylbenzene is 3-bromo-1,2,4,5-tetramethylbenzene.
The molecular formula of 1-Bromo-2,3,5,6-tetramethylbenzene is C10H13Br.
The molecular weight of 1-Bromo-2,3,5,6-tetramethylbenzene is 213.11 g/mol.
The InChI of 1-Bromo-2,3,5,6-tetramethylbenzene is InChI=1S/C10H13Br/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3.
The InChIKey of 1-Bromo-2,3,5,6-tetramethylbenzene is WJKBPTLQJXKEHC-UHFFFAOYSA-N.
The canonical SMILES representation of 1-Bromo-2,3,5,6-tetramethylbenzene is CC1=CC(=C(C(=C1C)Br)C)C.
The CAS number of 1-Bromo-2,3,5,6-tetramethylbenzene is 1646-53-3.
The European Community (EC) number of 1-Bromo-2,3,5,6-tetramethylbenzene is 216-707-4.
The NSC number of 1-Bromo-2,3,5,6-tetramethylbenzene is 87881.
The molecular weight of 1-Bromo-2,3,5,6-tetramethylbenzene is 213.11 g/mol. The XLogP3-AA is 4.1. The hydrogen bond donor count is 0. The hydrogen bond acceptor count is 0. The rotatable bond count is 0. The exact mass is 212.02006 g/mol. The monoisotopic mass is 212.02006 g/mol. The topological polar surface area is 0Ų. The heavy atom count is 11. The formal charge is 0. The complexity is 119. The isotope atom count is 0. The defined atom stereocenter count is 0. The undefined atom stereocenter count is 0. The defined bond stereocenter count is 0. The undefined bond stereocenter count is 0. The covalently-bonded unit count is 1. The compound is canonicalized.