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2-(4-Bromo-2-chlorophenyl)acetic acid - 98%, high purity , CAS No.916516-89-7

COA

Grade & Purity:

≥98%

Cas Number: 916516-89-7
Molecular Weight: 249.49
PubChem CID: 53403617

In stock

Item Number

B195828

Grouped product items
SKU	Size	Availability	Price
B195828-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$10.90
B195828-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
B195828-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$195.90
B195828-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$447.90
B195828-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,609.90

Basic Description

Synonyms	2-(4-BROMO-2-CHLOROPHENYL)ACETIC ACID \| 916516-89-7 \| 4-Bromo-2-chlorophenylacetic acid \| (4-bromo-2-chlorophenyl)acetic acid \| MFCD11847409 \| Benzeneacetic acid, 4-bromo-2-chloro- \| 2-(4-Bromo-2-chlorophenyl)aceticacid \| SCHEMBL473923 \| DTXSID90695207 \| ZCWUQSVZPLUCOZ-UHF
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Bromobenzenes Aryl chlorides Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Bromobenzene - Chlorobenzene - Aryl bromide - Aryl halide - Aryl chloride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
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-(4-bromo-2-chlorophenyl)acetic acid
INCHI	InChI=1S/C8H6BrClO2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKey	ZCWUQSVZPLUCOZ-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Br)Cl)CC(=O)O
Isomeric SMILES	C1=CC(=C(C=C1Br)Cl)CC(=O)O
Molecular Weight	249.49
Reaxy-Rn	18754764
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18754764&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	249.490 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	247.924 Da
Monoisotopic Mass	247.924 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174.000
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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