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2-Bromo-1-methyl-1H-imidazole-4-carboxylic acid - ≥97%, high purity , CAS No.852181-03-4

COA

Grade & Purity:

≥97%

Cas Number: 852181-03-4
Molecular Weight: 205.01
PubChem CID: 51063808

In stock

Item Number

B733117

Grouped product items
SKU	Size	Availability	Price
B733117-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$164.90
B733117-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
B733117-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$912.90
B733117-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,960.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 Trisubstituted imidazoles
        Level7 1,2,4-trisubstituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles - Trisubstituted imidazoles
Direct Parent	1,2,4-trisubstituted imidazoles
Alternative Parents	Carbonylimidazoles N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2,4-trisubstituted-imidazole - Imidazole-4-carbonyl group - Aryl bromide - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 1,2,4-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 3.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-bromo-1-methylimidazole-4-carboxylic acid
INCHI	InChI=1S/C5H5BrN2O2/c1-8-2-3(4(9)10)7-5(8)6/h2H,1H3,(H,9,10)
InChIKey	DYHJNZNZJCTGGW-UHFFFAOYSA-N
Smiles	CN1C=C(N=C1Br)C(=O)O
Isomeric SMILES	CN1C=C(N=C1Br)C(=O)O
PubChem CID	51063808
Molecular Weight	205.01

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	205.010 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	203.953 Da
Monoisotopic Mass	203.953 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	153.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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