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4-Bromo-2-methoxy-N-Boc-aniline - ≥98%, high purity , CAS No.262433-01-2

COA

Grade & Purity:

≥98%

Cas Number: 262433-01-2
Molecular Weight: 302.16
PubChem CID: 2757037

In stock

Item Number

B700256

Grouped product items
SKU	Size	Availability	Price	Qty
B700256-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Phenylcarbamic acid esters
Alternative Parents	Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylcarbamic acid ester - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Carbamic acid ester - Carbonic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
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-(4-bromo-2-methoxyphenyl)carbamate
INCHI	InChI=1S/C12H16BrNO3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,1-4H3,(H,14,15)
InChIKey	LFWHJZGNFWTUIO-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)OC
Isomeric SMILES	CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)OC
PubChem CID	2757037
Molecular Weight	302.16

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	302.160 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	301.031 Da
Monoisotopic Mass	301.031 Da
Topological Polar Surface Area	47.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	265.000
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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