910443-81-1 Purity
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Specification
The molecular formula is C10H12BrNO2.
The synonyms include 910443-85-5, 3-Amino-2-(2-bromobenzyl)propanoic acid, and 2-(Aminomethyl)-3-(2-bromophenyl)propanoic acid.
The molecular weight is 258.11 g/mol.
The IUPAC name is 2-(aminomethyl)-3-(2-bromophenyl)propanoic acid.
The InChI is InChI=1S/C10H12BrNO2/c11-9-4-2-1-3-7(9)5-8(6-12)10(13)14/h1-4,8H,5-6,12H2,(H,13,14).
The InChIKey is NZFMYDNPOGZVOM-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C(C(=C1)CC(CN)C(=O)O)Br.
The XLogP3-AA value is -0.8.
There are 2 hydrogen bond donors.
There are 3 hydrogen bond acceptors.