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1-Adamantaneacetyl Chloride - ≥95%, high purity , CAS No.19835-38-2

COA

Grade & Purity:

≥95%

Cas Number: 19835-38-2
Molecular Weight: 212.72
PubChem CID: 2771882

In stock

Item Number

A700688

Grouped product items
SKU	Size	Availability	Price	Qty
A700688-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$312.90
A700688-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,458.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Acyl halides
    - Subclass Acyl chlorides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Acyl halides
Subclass	Acyl chlorides
Intermediate Tree Nodes	Not available
Direct Parent	Acyl chlorides
Alternative Parents	Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homopolycyclic compounds
Substituents	Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
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-(1-adamantyl)acetyl chloride
INCHI	InChI=1S/C12H17ClO/c13-11(14)7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2
InChIKey	HLQSEJBREPQBRW-UHFFFAOYSA-N
Smiles	C1C2CC3CC1CC(C2)(C3)CC(=O)Cl
Isomeric SMILES	C1C2CC3CC1CC(C2)(C3)CC(=O)Cl
PubChem CID	2771882
Molecular Weight	212.72

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.710 g/mol
XLogP3	4.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	212.097 Da
Monoisotopic Mass	212.097 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	230.000
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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