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7567-22-8 | 1,3,5,7-Cyclooctatetraene, 1-bromo-
CAS No: 7567-22-8 Catalog No: AG005IXS MDL No:
Product Description
Catalog Number:
AG005IXS
Chemical Name:
1,3,5,7-Cyclooctatetraene, 1-bromo-
CAS Number:
7567-22-8
Molecular Formula:
C8H7Br
Molecular Weight:
183.0452
IUPAC Name:
bromocyclooctatetraene
InChI:
InChI=1S/C8H7Br/c9-8-6-4-2-1-3-5-7-8/h1-7H
InChI Key:
NLLQBBNCJBPICS-UHFFFAOYSA-N
SMILES:
BrC1=CC=CC=CC=C1
Properties
Complexity:
174
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| The second cyclopropannulene: cycloprop-[8]annulene. | Journal of the American Chemical Society 20050202 |
| The second triannulenylene: tri-[8]annulenylene. | Journal of the American Chemical Society 20040728 |
| The cyclooctatriene-eta2-ynyl potassium zwitterionic radical: evidence for a potassium organometallic. | Journal of the American Chemical Society 20030917 |
| Single-electron entrapment of [8]annulyne, biannulenylenes, and an annulenoannulene. | Journal of the American Chemical Society 20030917 |
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