910443-82-2 Purity
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Specification
The molecular formula is C10H12BrNO2.
The synonyms are 910443-86-6, 3-AMINO-2-(3-BROMOBENZYL)PROPANOIC ACID, and 2-(Aminomethyl)-3-(3-bromophenyl)propanoic acid.
The molecular weight is 258.11 g/mol.
The IUPAC name is 2-(aminomethyl)-3-(3-bromophenyl)propanoic acid.
The InChI is InChI=1S/C10H12BrNO2/c11-9-3-1-2-7(5-9)4-8(6-12)10(13)14/h1-3,5,8H,4,6,12H2,(H,13,14).
The InChIKey is XHOJQDSCSICOOX-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC(=C1)Br)CC(CN)C(=O)O.
The XLogP3-AA value is -0.8.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.