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2039-88-5 | Benzene, 1-bromo-2-ethenyl-
CAS No: 2039-88-5 Catalog No: AG00297B MDL No:MFCD00000076
Product Description
Catalog Number:
AG00297B
Chemical Name:
Benzene, 1-bromo-2-ethenyl-
CAS Number:
2039-88-5
Molecular Formula:
C8H7Br
Molecular Weight:
183.0452
MDL Number:
MFCD00000076
IUPAC Name:
1-bromo-2-ethenylbenzene
InChI:
InChI=1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChI Key:
SSZOCHFYWWVSAI-UHFFFAOYSA-N
SMILES:
C=Cc1ccccc1Br
EC Number:
218-027-3
UNII:
9A96GP6Z5D
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.973g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.048g/mol
Monoisotopic Mass:
181.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| 1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate. | Acta crystallographica. Section E, Structure reports online 20120501 |
| Synthesis of heterocycles via Pd-ligand controlled cyclization of 2-chloro-N-(2-vinyl)aniline: preparation of carbazoles, indoles, dibenzazepines, and acridines. | Journal of the American Chemical Society 20101013 |
| Microwave-enhanced carbonylative generation of indanones and 3-acylaminoindanones. | The Journal of organic chemistry 20050107 |
| Palladium-catalyzed cross-coupling reactions of amines with alkenyl bromides: a new method for the synthesis of enamines and imines. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040123 |
| Tandem or sequential coupling-IMDA cycloaddition approach to highly fused polycarbocycles. | The Journal of organic chemistry 20031226 |
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