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2,4-DIBROMO-1-METHOXYNAPHTHALENE , CAS No.28768-94-7
Basic Description
Synonyms
2,4-dibromo-1-methoxynaphthalene | 28768-94-7 | Naphthalene, 2,4-dibromo-1-methoxy- | 2,4-dibromo-1-methoxy-naphthalene | SCHEMBL152741 | HNLGVRSNVMKQMJ-UHFFFAOYSA-N | MFCD00087951 | AKOS024323884 | AS-62279 | CS-0316261 | W18345
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Naphthalenes
Alternative Parents
Anisoles Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Naphthalene - Phenol ether - Anisole - Alkyl aryl ether - 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.
Names and Identifiers
IUPAC Name
2,4-dibromo-1-methoxynaphthalene
INCHI
InChI=1S/C11H8Br2O/c1-14-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6H,1H3
InChIKey
HNLGVRSNVMKQMJ-UHFFFAOYSA-N
Smiles
COC1=C(C=C(C2=CC=CC=C21)Br)Br
Isomeric SMILES
COC1=C(C=C(C2=CC=CC=C21)Br)Br
Molecular Weight
315.994
Reaxy-Rn
3265262
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3265262&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
315.990 g/mol
XLogP3
4.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
315.892 Da
Monoisotopic Mass
313.894 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
198.000
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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