CAS
134168-97-1 Purity
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134168-97-1 Purity
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The molecular formula is C8H8BrNO2.
The molecular weight is 230.06 g/mol.
The IUPAC Name is 2-amino-2-(3-bromophenyl)acetic acid.
The InChI is InChI=1S/C8H8BrNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12).
The InChIKey is MJPMYLPJAVQUQA-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=CC(=C1)Br)C(C(=O)O)N.
The CAS number is 79422-73-4.
The XLogP3-AA value is -1.
It has 2 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.