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(2-Iodo-ethyl)-carbamicacidbenzylester - ≥97%, high purity , CAS No.68373-12-6

COA

Grade & Purity:

≥97%

Cas Number: 68373-12-6
Molecular Weight: 305.11
PubChem CID: 11301181

In stock

Item Number

C725815

Grouped product items
SKU	Size	Availability	Price	Qty
C725815-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$121.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl iodides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyloxycarbonyl - Carbamic acid ester - Carbonic acid derivative - Alkyl halide - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl iodide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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	benzyl N-(2-iodoethyl)carbamate
INCHI	InChI=1S/C10H12INO2/c11-6-7-12-10(13)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey	BBNJIQPJPQOWDM-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)COC(=O)NCCI
Isomeric SMILES	C1=CC=C(C=C1)COC(=O)NCCI
PubChem CID	11301181
Molecular Weight	305.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	305.110 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	304.991 Da
Monoisotopic Mass	304.991 Da
Topological Polar Surface Area	38.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	170.000
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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