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Structure

4-Bromo-1,3,5-trimethylpyrazole

CAS
15801-69-1
Catalog Number
ACM15801691
Category
Bromine Series

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What is the molecular formula of 4-Bromo-1,3,5-trimethylpyrazole?

The molecular formula of 4-Bromo-1,3,5-trimethylpyrazole is C6H9BrN2.

What is the molecular weight of 4-Bromo-1,3,5-trimethylpyrazole?

The molecular weight of 4-Bromo-1,3,5-trimethylpyrazole is 189.05 g/mol.

What is the IUPAC name of 4-Bromo-1,3,5-trimethylpyrazole?

The IUPAC name of 4-Bromo-1,3,5-trimethylpyrazole is 4-bromo-1,3,5-trimethylpyrazole.

What is the InChI of 4-Bromo-1,3,5-trimethylpyrazole?

The InChI of 4-Bromo-1,3,5-trimethylpyrazole is InChI=1S/C6H9BrN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3.

What is the InChIKey of 4-Bromo-1,3,5-trimethylpyrazole?

The InChIKey of 4-Bromo-1,3,5-trimethylpyrazole is UNTQXOJGXGRHMG-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Bromo-1,3,5-trimethylpyrazole?

The Canonical SMILES of 4-Bromo-1,3,5-trimethylpyrazole is CC1=C(C(=NN1C)C)Br.

What is the CAS number of 4-Bromo-1,3,5-trimethylpyrazole?

The CAS number of 4-Bromo-1,3,5-trimethylpyrazole is 15801-69-1.

What is the European Community (EC) Number of 4-Bromo-1,3,5-trimethylpyrazole?

The European Community (EC) Number of 4-Bromo-1,3,5-trimethylpyrazole is 625-760-6.

What is the DSSTox Substance ID of 4-Bromo-1,3,5-trimethylpyrazole?

The DSSTox Substance ID of 4-Bromo-1,3,5-trimethylpyrazole is DTXSID40333905.

What is the molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and canonicalization status of 4-Bromo-1,3,5-trimethylpyrazole?

The molecular weight is 189.05 g/mol, XLogP3-AA is 1.7, hydrogen bond donor count is 0, hydrogen bond acceptor count is 1, rotatable bond count is 0, exact mass is 187.99491 g/mol, monoisotopic mass is 187.99491 g/mol, topological polar surface area is 17.8Ų, heavy atom count is 9, formal charge is 0, complexity is 107, isotope atom count is 0, defined atom stereocenter count is 0, undefined atom stereocenter count is 0, defined bond stereocenter count is 0, undefined bond stereocenter count is 0, covalently-bonded unit count is 1, and the compound is canonicalized.

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