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1001-93-0 | 1,3-Pentadiene, 5-bromo-
CAS No: 1001-93-0 Catalog No: AG0000XS MDL No:
Product Description
Catalog Number:
AG0000XS
Chemical Name:
1,3-Pentadiene, 5-bromo-
CAS Number:
1001-93-0
Molecular Formula:
C5H7Br
Molecular Weight:
147.0131
IUPAC Name:
5-bromopenta-1,3-diene
InChI:
InChI=1S/C5H7Br/c1-2-3-4-5-6/h2-4H,1,5H2
InChI Key:
LGKANOVVJSORFA-UHFFFAOYSA-N
SMILES:
BrCC=CC=C
Properties
Complexity:
55
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.973g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.015g/mol
Monoisotopic Mass:
145.973g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Rearrangements and intramolecular Diels-Alder reactions of normal and vinylogous aza-Morita-Baylis-Hillman products leading to isoindoline derivatives. | The Journal of organic chemistry 20100604 |
| Synthesis of (+/-)-bakkenolide-A and its C-7, C-10, and C-7,10 epimers by means of an intramolecular Diels-Alder reaction. | The Journal of organic chemistry 20010615 |
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