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1,3-Dibromo-2-butoxy-5-methylbenzene - 98%, high purity , CAS No.1245563-06-7
Discover 1,3-Dibromo-2-butoxy-5-methylbenzene by Aladdin Scientific in 98% for only $1,436.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1,3-Dibromo-2-butoxy-5-methylbenzene | 1245563-06-7 | SCHEMBL12833107 | DTXSID10682139 | MFCD17015813 | AKOS015834861 | AB89809 | Benzene, 1,3-dibromo-2-butoxy-5-methyl- | CS-0195227 | E91339
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Toluenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Toluene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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
1,3-dibromo-2-butoxy-5-methylbenzene
INCHI
InChI=1S/C11H14Br2O/c1-3-4-5-14-11-9(12)6-8(2)7-10(11)13/h6-7H,3-5H2,1-2H3
InChIKey
YPLYQGOLPZEQHR-UHFFFAOYSA-N
Smiles
CCCCOC1=C(C=C(C=C1Br)C)Br
Isomeric SMILES
CCCCOC1=C(C=C(C=C1Br)C)Br
Molecular Weight
322
Reaxy-Rn
10661891
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10661891&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
322.040 g/mol
XLogP3
4.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
321.939 Da
Monoisotopic Mass
319.941 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
151.000
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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