CAS
112671-42-8 Purity
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112671-42-8 Purity
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Specification
The molecular formula is C9H11BrO.
The molecular weight is 215.09 g/mol.
The IUPAC name is (1R)-1-(4-bromophenyl)propan-1-ol.
The InChI is InChI=1S/C9H11BrO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6,9,11H,2H2,1H3/t9-/m1/s1.
The InChIKey is QLMFTKHAIDWIDC-SECBINFHSA-N.
The canonical SMILES is CCC(C1=CC=C(C=C1)Br)O.
It has 1 hydrogen bond donor count.
It has 1 hydrogen bond acceptor count.
It has 2 rotatable bond counts.
The topological polar surface area is 20.2Ų.