2-(Benzyloxy)-1-bromonaphthalene - ≥95% , CAS No.41908-23-0

CAS: 41908-23-0 Cat. No.: B735203 Molecular Weight: 313.2 PubChem CID: 378883

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Product Properties

• ALogP: 5.3

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)Br
• IUPAC Name: 1-bromo-2-phenylmethoxynaphthalene
• InChIKey: VFQRFYFSXMDHMW-UHFFFAOYSA-N
• INCHI: 1S/C17H13BrO/c18-17-15-9-5-4-8-14(15)10-11-16(17)19-12-13-6-2-1-3-7-13/h1-11H,12H2
• Isomeric SMILES: C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)Br
• PubChem CID: 378883
• Molecular Weight: 313.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alkyl aryl ethers Benzene and substituted derivatives Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Molecular Weight: 313.200 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 312.015 Da
• Monoisotopic Mass: 312.015 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 274.000
• 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