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188802-38-2 | Benzene, [(1E,3E)-4-bromo-1,3-butadien-1-yl]-
CAS No: 188802-38-2 Catalog No: AG002HCQ MDL No:
Product Description
Catalog Number:
AG002HCQ
Chemical Name:
Benzene, [(1E,3E)-4-bromo-1,3-butadien-1-yl]-
CAS Number:
188802-38-2
Molecular Formula:
C10H9Br
Molecular Weight:
209.0825
IUPAC Name:
4-bromobuta-1,3-dienylbenzene
InChI:
InChI=1S/C10H9Br/c11-9-5-4-8-10-6-2-1-3-7-10/h1-9H
InChI Key:
RHFAWXPHDBNIKS-UHFFFAOYSA-N
SMILES:
Br/C=C/C=C/c1ccccc1
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.086g/mol
Monoisotopic Mass:
207.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Synthesis of alpha,omega-diarylbutadienes and -hexatrienes via decarboxylative coupling of cinnamic acids with vinyl bromides under palladium catalysis. | Organic letters 20100205 |
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