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1-(4-Chlorophenyl)azetidine-3-carboxylic acid - 95%, high purity , CAS No.1187933-29-4

COA

Grade & Purity:

≥95%

Cas Number: 1187933-29-4
Molecular Weight: 211.65
PubChem CID: 53407129

In stock

Item Number

C586531

Grouped product items
SKU	Size	Availability	Price
C586531-100mg	100mg	3	$79.90
C586531-250mg	250mg	3	$178.90
C586531-1g	1g	2	$640.90

Basic Description

Synonyms	1-(4-Chlorophenyl)azetidine-3-carboxylicacid \| MFCD12913661 \| AKOS016013767 \| SCHEMBL16695293 \| 1-(4-CHLORO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID \| 1-(4-Chlorophenyl)azetidine-3-carboxylic acid \| 1187933-29-4 \| SB51031 \| 1-(4-Chlorophenyl)-3-azetidinecarbox
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
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 Azetidines
    - Subclass Phenylazetidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azetidines
Subclass	Phenylazetidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylazetidines
Alternative Parents	Dialkylarylamines Aniline and substituted anilines Chlorobenzenes Azetidinecarboxylic acids Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylazetidine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Halobenzene - Azetidinecarboxylic acid - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine ring.
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	1-(4-chlorophenyl)azetidine-3-carboxylic acid
INCHI	InChI=1S/C10H10ClNO2/c11-8-1-3-9(4-2-8)12-5-7(6-12)10(13)14/h1-4,7H,5-6H2,(H,13,14)
InChIKey	JZXZRZQJWQECTJ-UHFFFAOYSA-N
Smiles	C1C(CN1C2=CC=C(C=C2)Cl)C(=O)O
Isomeric SMILES	C1C(CN1C2=CC=C(C=C2)Cl)C(=O)O
Molecular Weight	211.65
Reaxy-Rn	28210310
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28210310&ln=

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

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3 results found

Lot Number	Certificate Type	Date	Item
I2306303	Certificate of Analysis	Aug 26, 2023	C586531
I2306302	Certificate of Analysis	Aug 26, 2023	C586531
I2306301	Certificate of Analysis	Aug 26, 2023	C586531

Chemical and Physical Properties

Molecular Weight	211.640 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	211.04 Da
Monoisotopic Mass	211.04 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	220.000
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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