928713-80-8 Purity
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Specification
Molecular formula of Asischem c63602 is C13H12BrN3O2.
Asischem c63602 was created on 2007-11-13 and modified on 2023-12-30.
The IUPAC name of Asischem c63602 is 3-amino-3-[2-(4-bromophenyl)pyrimidin-5-yl]propanoic acid.
The InChI of Asischem c63602 is InChI=1S/C13H12BrN3O2/c14-10-3-1-8(2-4-10)13-16-6-9(7-17-13)11(15)5-12(18)19/h1-4,6-7,11H,5,15H2,(H,18,19).
The InChIKey of Asischem c63602 is UVCMAKVEJDKWKD-UHFFFAOYSA-N.
The canonical SMILES of Asischem c63602 is C1=CC(=CC=C1C2=NC=C(C=N2)C(CC(=O)O)N)Br.
The molecular weight of Asischem c63602 is 322.16 g/mol.
Asischem c63602 has 2 hydrogen bond donor counts.
The topological polar surface area of Asischem c63602 is 89.1 Ų.
Yes, the compound of Asischem c63602 is canonicalized.