Ethyl 4-tert-butyl-3-iodobenzoate

CAS
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CAS
92039-18-4
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM92039184

Product Name

Ethyl 4-tert-butyl-3-iodobenzoate

CAS

92039-18-4

Category

Heterocyclic Organic Compound

Synonyms

ethyl 4-tert-butyl-3-iodobenzoate, 92039-18-4, CTK8E2503, SBB068172, ZINC39951788, Ethyl 4-(tert-butyl)-3-iodobenzoate, AKOS015843497, ethyl 4-tert-butyl-3-iodanyl-benzoate, AK133731, KB-145513, 4-tert-butyl-3-iodobenzoic acid ethyl ester, FT-0660041, A844136, I14-5623

IUPAC Name

ethyl 4-tert-butyl-3-iodobenzoate

Molecular Weight

332.177350 [g/mol]

Molecular Formula

C13H17IO2

Canonical SMILES

CCOC(=O)C1=CC(=C(C=C1)C(C)(C)C)I

InChI Key

HWNNZFQAGYZOQX-UHFFFAOYSA-N

Exact Mass

332.02700

H-Bond Acceptor

2

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Ethyl 4-tert-butyl-3-iodobenzoate?

The molecular formula of Ethyl 4-tert-butyl-3-iodobenzoate is C13H17IO2.

When was Ethyl 4-tert-butyl-3-iodobenzoate created and last modified?

Ethyl 4-tert-butyl-3-iodobenzoate was created on 2010-03-23 and last modified on 2023-12-30.

What is the IUPAC Name of Ethyl 4-tert-butyl-3-iodobenzoate?

The IUPAC Name of Ethyl 4-tert-butyl-3-iodobenzoate is ethyl 4-tert-butyl-3-iodobenzoate.

What is the InChIKey of Ethyl 4-tert-butyl-3-iodobenzoate?

The InChIKey of Ethyl 4-tert-butyl-3-iodobenzoate is HWNNZFQAGYZOQX-UHFFFAOYSA-N.

How many hydrogen bond acceptors are there in Ethyl 4-tert-butyl-3-iodobenzoate?

There are 2 hydrogen bond acceptors in Ethyl 4-tert-butyl-3-iodobenzoate.

What is the topological polar surface area of Ethyl 4-tert-butyl-3-iodobenzoate?

The topological polar surface area of Ethyl 4-tert-butyl-3-iodobenzoate is 26.3Å².

How many rotatable bonds are there in Ethyl 4-tert-butyl-3-iodobenzoate?

There are 4 rotatable bonds in Ethyl 4-tert-butyl-3-iodobenzoate.

Is Ethyl 4-tert-butyl-3-iodobenzoate a canonicalized compound?

Yes, Ethyl 4-tert-butyl-3-iodobenzoate is a canonicalized compound.

What is the heavy atom count in Ethyl 4-tert-butyl-3-iodobenzoate?

The heavy atom count in Ethyl 4-tert-butyl-3-iodobenzoate is 16.

What is the molecular weight of Ethyl 4-tert-butyl-3-iodobenzoate?

The molecular weight of Ethyl 4-tert-butyl-3-iodobenzoate is 332.18 g/mol.

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