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Structure

2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one

CAS
95111-49-2
Catalog Number
ACM95111492
Category
Other Products
Molecular Weight
468.72
Molecular Formula
C7H3Br4NO3

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What is the molecular formula of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?

The molecular formula is C7H3Br4NO3.

What is the molecular weight of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?

The molecular weight is 468.72 g/mol.

When was 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one created?

It was created on July 19, 2005.

What is the InChI of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?

The InChI is InChI=1S/C7H3Br4NO3/c1-7(12(14)15)5(10)2(8)4(13)3(9)6(7)11/h1H3.

How many hydrogen bond acceptor count does 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one have?

It has 3 hydrogen bond acceptor count.

What is the topological polar surface area of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?

The topological polar surface area is 62.9 Ų.

Is 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one a canonicalized compound?

Yes, it is a canonicalized compound.

How many rotatable bond count does 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one have?

It has 0 rotatable bond count.

What is the XLogP3-AA value of 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?

The XLogP3-AA value is 3.5.

How many heavy atoms are present in 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one?

There are 15 heavy atoms present.

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