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4-BROMO-4'-ETHOXYBENZOPHENONE , CAS No.351003-30-0
Basic Description
Synonyms
4-Bromo-4'-ethoxybenzophenone | 351003-30-0 | (4-bromophenyl)-(4-ethoxyphenyl)methanone | 3-BROMO-4'-ETHOXYBENZOPHENONE 97 | MFCD00617163 | (4-BROMOPHENYL)(4-ETHOXYPHENYL)METHANONE | DTXSID60399063 | AKOS006031462 | CS-0362973 | (4-Bromo-phenyl)-(4-ethoxy-phenyl)-methanon
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzophenones
Intermediate Tree Nodes
Not available
Direct Parent
Benzophenones
Alternative Parents
Diphenylmethanes Aryl-phenylketones Phenoxy compounds Phenol ethers Benzoyl derivatives Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzophenone - Diphenylmethane - Aryl-phenylketone - Phenoxy compound - Benzoyl - Phenol ether - Aryl ketone - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl bromide - Aryl halide - Ketone - Ether - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
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
(4-bromophenyl)-(4-ethoxyphenyl)methanone
INCHI
InChI=1S/C15H13BrO2/c1-2-18-14-9-5-12(6-10-14)15(17)11-3-7-13(16)8-4-11/h3-10H,2H2,1H3
InChIKey
CTFATYIGPWOEMM-UHFFFAOYSA-N
Smiles
CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br
Isomeric SMILES
CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Br
Molecular Weight
305.17
Reaxy-Rn
1967490
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1967490&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
305.170 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
304.01 Da
Monoisotopic Mass
304.01 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
264.000
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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