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ethyl 3-(4-bromophenyl)oxetane-3-carboxylate - 97%, high purity , CAS No.1370035-61-2

COA

Grade & Purity:

≥97%

Cas Number: 1370035-61-2
Molecular Weight: 285.14
PubChem CID: 77230752

In stock

Item Number

E628665

Grouped product items
SKU	Size	Availability	Price
E628665-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90
E628665-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$251.90
E628665-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$419.90
E628665-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$629.90
E628665-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,151.90

Basic Description

Synonyms	ethyl 3-(4-bromophenyl)oxetane-3-carboxylate \| 1370035-61-2 \| SCHEMBL23005544 \| MFCD26402649 \| PB40443 \| ethyl3-(4-bromophenyl)oxetane-3-carboxylate \| FT-0702698 \| A902257
Specifications & Purity	≥97%
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	Bromobenzenes
Alternative Parents	Aryl bromides Oxetanes Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bromobenzene - Aryl bromide - Aryl halide - Carboxylic acid ester - Oxetane - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene 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	ethyl 3-(4-bromophenyl)oxetane-3-carboxylate
INCHI	InChI=1S/C12H13BrO3/c1-2-16-11(14)12(7-15-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey	IFVHSIQHSRQYIR-UHFFFAOYSA-N
Smiles	CCOC(=O)C1(COC1)C2=CC=C(C=C2)Br
Isomeric SMILES	CCOC(=O)C1(COC1)C2=CC=C(C=C2)Br
PubChem CID	77230752
Molecular Weight	285.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	285.130 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	284.005 Da
Monoisotopic Mass	284.005 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	255.000
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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