Benzoic-2,3,5,6-d4acid,4-fluoro-

CAS
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CAS
93111-25-2
Size
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Purity
98 atom % D
Price
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Availability
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Catalog Number

ACM93111252

Product Name

Benzoic-2,3,5,6-d4acid,4-fluoro-

Structure

Structure

CAS

93111-25-2

Category

Heterocyclic Organic Compound

Synonyms

4-FLUOROBENZAMIDE-2,3,5,6-D4;4-FLUOROBENZOIC-D4 ACID

IUPAC Name

2,3,5,6-tetradeuterio-4-fluorobenzoicacid

Molecular Weight

144.14

Molecular Formula

C₇HD₄FO₂

Canonical SMILES

C1=CC(=CC=C1C(=O)O)F

InChI Key

BBYDXOIZLAWGSL-RHQRLBAQSA-N

Boiling Point

253.687ºC at 760 mmHg

Flash Point

107.226ºC

Density

1.358 g/cm³

Exact Mass

144.05200

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Benzoic-2,3,5,6-d4acid,4-fluoro-?

The molecular formula is C7H5FO2.

What is the molecular weight of Benzoic-2,3,5,6-d4acid,4-fluoro-?

The molecular weight is 144.14 g/mol.

What is the IUPAC name of Benzoic-2,3,5,6-d4acid,4-fluoro-?

The IUPAC name is 2,3,5,6-tetradeuterio-4-fluorobenzoic acid.

What is the InChI of Benzoic-2,3,5,6-d4acid,4-fluoro-?

The InChI is InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/i1D,2D,3D,4D.

What is the InChIKey of Benzoic-2,3,5,6-d4acid,4-fluoro-?

The InChIKey is BBYDXOIZLAWGSL-RHQRLBAQSA-N.

What is the canonical SMILES of Benzoic-2,3,5,6-d4acid,4-fluoro-?

The canonical SMILES is C1=CC(=CC=C1C(=O)O)F.

What is the isomeric SMILES of Benzoic-2,3,5,6-d4acid,4-fluoro-?

The isomeric SMILES is [2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])F)[2H].

What is the XLogP3 value of Benzoic-2,3,5,6-d4acid,4-fluoro-?

The XLogP3 value is 2.1.

How many hydrogen bond donor counts does Benzoic-2,3,5,6-d4acid,4-fluoro- have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Benzoic-2,3,5,6-d4acid,4-fluoro- have?

It has 3 hydrogen bond acceptor counts.

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