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5-broMo-3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde - ≥95%, high purity , CAS No.1188037-01-5

COA

Grade & Purity:

≥95%

Cas Number: 1188037-01-5
Molecular Weight: 357.2013
MDL number: MFCD09746343
PubChem CID: 53350403

In stock

Item Number

B769556

Grouped product items
SKU	Size	Availability	Price
B769556-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90
B769556-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$693.90
B769556-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,248.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Aryl-aldehydes Alkyl aryl ethers Aryl bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aryl-aldehyde - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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

INCHI	InChI=1S/C17H13BrN2O2/c1-22-14-9-7-12(8-10-14)16-15(11-21)17(18)20(19-16)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey	OEMWMRNELHHBMB-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C2=NN(C(=C2C=O)Br)C3=CC=CC=C3
Isomeric SMILES	COC1=CC=C(C=C1)C2=NN(C(=C2C=O)Br)C3=CC=CC=C3
Molecular Weight	357.2013

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	357.200 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	356.016 Da
Monoisotopic Mass	356.016 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	368.000
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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