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6-Bromo-2-chloro-3-methoxyphenol - 97%, high purity , CAS No.1228957-06-9
Discover 6-Bromo-2-chloro-3-methoxyphenol by Aladdin Scientific in 97% for only $1,175.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
6-BROMO-2-CHLORO-3-METHOXYPHENOL | 1228957-06-9 | DTXSID50682118 | MFCD16618957 | AKOS015835405 | Phenol, 6-bromo-2-chloro-3-methoxy- | BS-19536 | CS-0191504 | E91198 | A890888
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Methoxyphenols
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyphenols
Alternative Parents
Phenoxy compounds O-chlorophenols O-bromophenols Methoxybenzenes Anisoles Chlorobenzenes Bromobenzenes Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Aryl bromides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 2-halophenol - 2-chlorophenol - 2-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
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
6-bromo-2-chloro-3-methoxyphenol
INCHI
InChI=1S/C7H6BrClO2/c1-11-5-3-2-4(8)7(10)6(5)9/h2-3,10H,1H3
InChIKey
VVRDRUJEABUFPP-UHFFFAOYSA-N
Smiles
COC1=C(C(=C(C=C1)Br)O)Cl
Isomeric SMILES
COC1=C(C(=C(C=C1)Br)O)Cl
PubChem CID
53217011
Molecular Weight
237.5
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
237.480 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
235.924 Da
Monoisotopic Mass
235.924 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
134.000
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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