4-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid

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CAS
84547-84-2
Size
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Purity
98%
Price
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Availability
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Catalog Number

ACM84547842

Product Name

4-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid

Structure

Structure

CAS

84547-84-2

Category

Bromine Series

Synonyms

84547-84-2, 4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid, 4-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid, 4-Bromo-1-methylpyrazole-3-carboxy acid, 4-bromo-2-methylpyrazole-3-carboxylic acid, 4-bromo-1-methylpyrazole-5-carboxylic acid, TimTec1_000450, zlchem 596, AC1LDRMQ, PubChem19973, AC1Q40DN, SureCN1357879, MLS000685520, CTK3E7874, ZLD0043, MolPort-000-152-221, BB_SC-8787, HMS1535E10, HMS2618K16, ACT05883

IUPAC Name

4-bromo-2-methylpyrazole-3-carboxylic acid

Molecular Weight

205.01

Molecular Formula

C₅H₅BrN₂O₂

Canonical SMILES

CN1C(=C(C=N1)Br)C(=O)O

InChI Key

YXIJCAVZGBGUKM-UHFFFAOYSA-N

Boiling Point

347.4ºC at 760 mmHg

Flash Point

163.9ºC

Density

1.93g/cm³

Exact Mass

203.95300

H-Bond Acceptor

3

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound?

The molecular formula is C5H5BrN2O2.

What is the molecular weight of the compound?

The molecular weight is 205.01 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 4-bromo-2-methylpyrazole-3-carboxylic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C5H5BrN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10).

What is the InChIKey of the compound?

The InChIKey is YXIJCAVZGBGUKM-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CN1C(=C(C=N1)Br)C(=O)O.

What is the CAS number of the compound?

The CAS number is 84547-84-2.

What is the European Community (EC) number of the compound?

The European Community (EC) number is 673-169-7.

What is the ChEMBL ID of the compound?

The ChEMBL ID is CHEMBL1899934.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 0.8.

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