Structure

Asischem c63602

CAS
928713-90-0
Catalog Number
ACM928713900
Category
Other Products
Molecular Formula
C13H12BrN3O2

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Specification

Synonyms
ASISCHEM C63602;5-PYRIMIDINEPROPANOIC ACID, B-AMINO-2-(4-BROMOPHENYL)-;B-AMINO-2-(4-BROMOPHENYL)-5-PYRIMIDINEPROPANOIC ACID
What is the molecular formula of Asischem c63602?

Molecular formula of Asischem c63602 is C13H12BrN3O2.

When was Asischem c63602 created and modified?

Asischem c63602 was created on 2007-11-13 and modified on 2023-12-30.

What is the IUPAC name of Asischem c63602?

The IUPAC name of Asischem c63602 is 3-amino-3-[2-(4-bromophenyl)pyrimidin-5-yl]propanoic acid.

What is the InChI of Asischem c63602?

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).

What is the InChIKey of Asischem c63602?

The InChIKey of Asischem c63602 is UVCMAKVEJDKWKD-UHFFFAOYSA-N.

What is the canonical SMILES of Asischem c63602?

The canonical SMILES of Asischem c63602 is C1=CC(=CC=C1C2=NC=C(C=N2)C(CC(=O)O)N)Br.

What is the molecular weight of Asischem c63602?

The molecular weight of Asischem c63602 is 322.16 g/mol.

How many hydrogen bond donor counts does Asischem c63602 have?

Asischem c63602 has 2 hydrogen bond donor counts.

What is the topological polar surface area of Asischem c63602?

The topological polar surface area of Asischem c63602 is 89.1 Ų.

Is the compound of Asischem c63602 canonicalized?

Yes, the compound of Asischem c63602 is canonicalized.

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