Calcium hydrogen 3,4,5,6-tetrachlorophthalate

CAS
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CAS
94275-90-8
Size
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Purity
96%
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Catalog Number

ACM94275908

Product Name

Calcium hydrogen 3,4,5,6-tetrachlorophthalate

Structure

Structure

CAS

94275-90-8

Category

Heterocyclic Organic Compound

Synonyms

Calcium hydrogen 3,4,5,6-tetrachlorophthalate, 94275-90-8, CTK5H6179, EINECS 304-478-4, AG-H-89067

IUPAC Name

calcium;2-carboxy-3,4,5,6-tetrachlorobenzoate

Molecular Weight

645.884280 [g/mol]

Molecular Formula

C16H2CaCl8O8

InChI Key

UORLIJOZQJVHRZ-UHFFFAOYSA-L

Exact Mass

641.68800

H-Bond Acceptor

8

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The molecular formula is C16H2CaCl8O8.

What is the molecular weight of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The molecular weight is 645.9 g/mol.

What is the IUPAC name of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The IUPAC name is calcium;2-carboxy-3,4,5,6-tetrachlorobenzoate.

What is the InChI of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The InChI is InChI=1S/2C8H2Cl4O4.Ca/c2*9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;/h2*(H,13,14)(H,15,16);/q;;+2/p-2.

What is the InChIKey of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The InChIKey is UORLIJOZQJVHRZ-UHFFFAOYSA-L.

What is the canonical SMILES of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The canonical SMILES is C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)O.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C(=O)O.[Ca+2].

What is the CAS number of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The CAS number is 94275-90-8.

What is the European Community (EC) number of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The EC number is 304-478-4.

What is the hydrogen bond donor count of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of Calcium hydrogen 3,4,5,6-tetrachlorophthalate?

The hydrogen bond acceptor count is 8.

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