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Tert-butyl (4-hydroxy-3-iodophenethyl)carbamate - ≥97%, high purity , CAS No.788824-50-0

COA

Grade & Purity:

≥97%

Cas Number: 788824-50-0
MDL number: MFCD07779453
PubChem CID: 11617493

In stock

Item Number

T769759

Grouped product items
SKU	Size	Availability	Price
T769759-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$339.90
T769759-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$709.90
T769759-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,478.90
T769759-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,915.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
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 Benzenoids
  - Class Phenols
    - Subclass Halophenols
      - Level5 Iodophenols
        Level6 O-iodophenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Halophenols
Intermediate Tree Nodes	Iodophenols
Direct Parent	O-iodophenols
Alternative Parents	Iodobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl iodides Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Carbamic acid ester - Carbonic acid derivative - Organic nitrogen compound - Organoiodide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-iodophenols. These are iodophenols carrying a iodine at the C2 position of the 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	tert-butyl N-[2-(4-hydroxy-3-iodophenyl)ethyl]carbamate
INCHI	InChI=1S/C13H18INO3/c1-13(2,3)18-12(17)15-7-6-9-4-5-11(16)10(14)8-9/h4-5,8,16H,6-7H2,1-3H3,(H,15,17)
InChIKey	VJMBWFNUOPTEOS-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1)O)I
Isomeric SMILES	CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1)O)I
Alternate CAS	788824-50-0
PubChem CID	11617493

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in chloroform (small amount), ethyl acetate (small amount), methanol (small amount)
Molecular Weight	363.190 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	363.033 Da
Monoisotopic Mass	363.033 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	278.000
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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