Name: Methyl 2-azidobenzoate solution - ~0.5M in tert-butyl methyl ether , CAS No.16714-23-1
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Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Clase	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acids
Direct Parent	2-azidobenzoic acids
Alternative Parents	Benzoic acid esters Phenylazides Benzoyl derivatives Methyl esters Azo imides Azo compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-azidobenzoic acid - Benzoate ester - Benzoyl - Phenylazide - Methyl ester - Azo compound - Carboxylic acid ester - Azo imide - Carboxylic acid derivative - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as 2-azidobenzoic acids. These are compounds containing an azide group at the 2-position of a benzoic acid.
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

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

Analytical Chart:

Propiedades químicas y físicas

Punto de inflamación (°F)	-27.4 °F
Punto de inflamación (°C)	-33 °C
Peso molecular	177.160 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	177.054 Da
Monoisotopic Mass	177.054 Da
Topological Polar Surface Area	40.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	236.000
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

Calculadoras de soluciones

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Reseñas

Sonrisas canónicas	COC(=O)C1=CC=CC=C1N=[N+]=[N-]
IUPAC Name	methyl 2-azidobenzoate
InChIKey	LGHLODHMWICPLN-UHFFFAOYSA-N
INCHI	1S/C8H7N3O2/c1-13-8(12)6-4-2-3-5-7(6)10-11-9/h2-5H,1H3
Isómeros SMILES	COC(=O)C1=CC=CC=C1N=[N+]=[N-]
WGK Alemania	3
Peso molecular	177.16
Reaxy-Rn	475220
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=475220&ln=

Methyl 2-azidobenzoate solution - ~0.5M in tert-butyl methyl ether , CAS No.16714-23-1

Descripción general