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139592-67-9 | Benzene, 1-bromo-2-(1-methyl-3-buten-1-yl)-
CAS No: 139592-67-9 Catalog No: AG001BCC MDL No:
Product Description
Catalog Number:
AG001BCC
Chemical Name:
Benzene, 1-bromo-2-(1-methyl-3-buten-1-yl)-
CAS Number:
139592-67-9
Molecular Formula:
C11H13Br
Molecular Weight:
225.1249
IUPAC Name:
1-bromo-2-pent-4-en-2-ylbenzene
InChI:
InChI=1S/C11H13Br/c1-3-6-9(2)10-7-4-5-8-11(10)12/h3-5,7-9H,1,6H2,2H3
InChI Key:
BQRMTHGPJSGFJP-UHFFFAOYSA-N
SMILES:
C=CCC(c1ccccc1Br)C
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.129g/mol
Monoisotopic Mass:
224.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Comparative study of anionic and radical cyclization for the preparation of 1,3-dimethylindans: highly stereoselective preparation of cis-1,3-disubstituted indans via intramolecular carbolithiation. | Organic letters 20020307 |
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