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1794-48-5 | Benzene, (3-bromo-1-propyn-1-yl)-
CAS No: 1794-48-5 Catalog No: AG01FEHY MDL No:
Product Description
Catalog Number:
AG01FEHY
Chemical Name:
Benzene, (3-bromo-1-propyn-1-yl)-
CAS Number:
1794-48-5
Molecular Formula:
C9H7Br
Molecular Weight:
195.0559
IUPAC Name:
3-bromoprop-1-ynylbenzene
InChI:
InChI=1S/C9H7Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,8H2
InChI Key:
RKNCIBMWPVZEAJ-UHFFFAOYSA-N
SMILES:
BrCC#Cc1ccccc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.973g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.059g/mol
Monoisotopic Mass:
193.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Silver-catalyzed one-pot synthesis of arylnaphthalene lactones. | The Journal of organic chemistry 20080905 |
| Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles. | Organic letters 20060928 |
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