Structure

Asischem c63534

CAS
928711-75-5
Catalog Number
ACM928711755
Category
Other Products
Molecular Formula
C13H13ClN4O4S

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Specification

Synonyms
ASISCHEM C63534;5-PYRIMIDINEPROPANOIC ACID, B-AMINO-2-[[(4-CHLOROPHENYL)SULFONYL]AMINO]-;B-AMINO-2-[[(4-CHLOROPHENYL)SULFONYL]AMINO]-5-PYRIMIDINEPROPANOIC ACID
What is the molecular formula of Asischem c63534 according to the reference?

The molecular formula of Asischem c63534 is C13H13ClN4O4S.

When was Asischem c63534 created and modified?

Asischem c63534 was created on November 13, 2007, and modified on December 30, 2023.

What is the IUPAC name of Asischem c63534?

The IUPAC name of Asischem c63534 is 3-amino-3-[2-[(4-chlorophenyl)sulfonylamino]pyrimidin-5-yl]propanoic acid.

What is the InChI of Asischem c63534?

The InChI of Asischem c63534 is InChI=1S/C13H13ClN4O4S/c14-9-1-3-10(4-2-9)23(21,22)18-13-16-6-8(7-17-13)11(15)5-12(19)20/h1-4,6-7,11H,5,15H2,(H,19,20)(H,16,17,18).

What is the molecular weight of Asischem c63534?

The molecular weight of Asischem c63534 is 356.79 g/mol.

What is the Canonical SMILES of Asischem c63534?

The Canonical SMILES of Asischem c63534 is C1=CC(=CC=C1S(=O)(=O)NC2=NC=C(C=N2)C(CC(=O)O)N)Cl.

How many hydrogen bond donor counts does Asischem c63534 have?

Asischem c63534 has 3 hydrogen bond donor counts.

What is the topological polar surface area of Asischem c63534?

The topological polar surface area of Asischem c63534 is 144?2.

Does Asischem c63534 have any defined atom stereocenter counts?

Asischem c63534 does not have any defined atom stereocenter counts.

Is the compound of Asischem c63534 canonicalized?

Yes, the compound of Asischem c63534 is canonicalized according to the reference.

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