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1-Bromo-5-chloro-4-fluoro-2-methoxybenzene - 98%, high purity , CAS No.949892-08-4
Basic Description
Synonyms
1-Bromo-5-chloro-4-fluoro-2-methoxybenzene | 949892-08-4 | SCHEMBL4148256 | DTXSID10682194 | NVSMLSKXNOHPFW-UHFFFAOYSA-N | 2-Bromo-4-chloro-5-fluoroanisole | ZMB89208 | MFCD18783171 | AKOS015888492 | BS-24668 | CS-0211745 | EN300-317140 | A859223 | Z1269123661
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Fluorobenzenes Chlorobenzenes Bromobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Aryl bromides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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-bromo-5-chloro-4-fluoro-2-methoxybenzene
INCHI
InChI=1S/C7H5BrClFO/c1-11-7-3-6(10)5(9)2-4(7)8/h2-3H,1H3
InChIKey
NVSMLSKXNOHPFW-UHFFFAOYSA-N
Smiles
COC1=CC(=C(C=C1Br)Cl)F
Isomeric SMILES
COC1=CC(=C(C=C1Br)Cl)F
Molecular Weight
239.5
Reaxy-Rn
18663351
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18663351&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
239.470 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
237.92 Da
Monoisotopic Mass
237.92 Da
Topological Polar Surface Area
9.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
136.000
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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