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3-(4-bromobenzoyl)azetidine hydrochloride - 97%, high purity , CAS No.1864074-80-5

COA

Grade & Purity:

≥97%

Cas Number: 1864074-80-5
PubChem CID: 86263309

In stock

Item Number

A630873

Grouped product items
SKU	Size	Availability	Price
A630873-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
A630873-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,056.90
A630873-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,111.90

Basic Description

Synonyms	1864074-80-5 \| 3-(4-bromobenzoyl)azetidine hydrochloride \| 3-(4-Bromobenzoyl)azetidine HCl \| azetidin-3-yl(4-bromophenyl)methanone hydrochloride \| azetidin-3-yl-(4-bromophenyl)methanone \| hydrochloride \| 3-Azetidinyl(4-bromophenyl)methanone HCl \| MFCD2816
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Beta-amino ketones Aryl bromides Azetidines Dialkylamines Azacyclic compounds Organobromides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Beta-aminoketone - Azetidine - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

IUPAC Name	azetidin-3-yl-(4-bromophenyl)methanone;hydrochloride
INCHI	InChI=1S/C10H10BrNO.ClH/c11-9-3-1-7(2-4-9)10(13)8-5-12-6-8;/h1-4,8,12H,5-6H2;1H
InChIKey	RBOBLVAZCZRKNO-UHFFFAOYSA-N
Smiles	C1C(CN1)C(=O)C2=CC=C(C=C2)Br.Cl
Isomeric SMILES	C1C(CN1)C(=O)C2=CC=C(C=C2)Br.Cl
PubChem CID	86263309

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	276.560 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	274.971 Da
Monoisotopic Mass	274.971 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	195.000
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	2

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