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Structure

4-Bromo-3-ethoxy-5-methylisoxazole

CAS
169310-98-9
Catalog Number
ACM169310989
Category
Bromine Series
Molecular Weight
206.04
Molecular Formula
C6H8BrNO2

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What is the molecular formula of 4-Bromo-3-ethoxy-5-methylisoxazole?

The molecular formula is C6H8BrNO2.

What is the IUPAC name of 4-Bromo-3-ethoxy-5-methylisoxazole?

The IUPAC name is 4-bromo-3-ethoxy-5-methyl-1,2-oxazole.

What is the InChI of 4-Bromo-3-ethoxy-5-methylisoxazole?

The InChI is InChI=1S/C6H8BrNO2/c1-3-9-6-5(7)4(2)10-8-6/h3H2,1-2H3.

What is the InChIKey of 4-Bromo-3-ethoxy-5-methylisoxazole?

The InChIKey is WYGNIHJIFAZCBL-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromo-3-ethoxy-5-methylisoxazole?

The canonical SMILES is CCOC1=NOC(=C1Br)C.

What is the molecular weight of 4-Bromo-3-ethoxy-5-methylisoxazole?

The molecular weight is 206.04 g/mol.

What is the XLogP3-AA value of 4-Bromo-3-ethoxy-5-methylisoxazole?

The XLogP3-AA value is 2.1.

How many hydrogen bond donor counts does 4-Bromo-3-ethoxy-5-methylisoxazole have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-Bromo-3-ethoxy-5-methylisoxazole have?

It has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 4-Bromo-3-ethoxy-5-methylisoxazole have?

It has 2 rotatable bond counts.

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