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70626-28-7 | Benzene, 1-bromo-3-(2-phenylethenyl)-
CAS No: 70626-28-7 Catalog No: AG005H7T MDL No:
Product Description
Catalog Number:
AG005H7T
Chemical Name:
Benzene, 1-bromo-3-(2-phenylethenyl)-
CAS Number:
70626-28-7
Molecular Formula:
C14H11Br
Molecular Weight:
259.1411
IUPAC Name:
1-bromo-3-(2-phenylethenyl)benzene
InChI:
InChI=1S/C14H11Br/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-11H
InChI Key:
MPYGIRDWORCFRS-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C=Cc1ccccc1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.004g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.146g/mol
Monoisotopic Mass:
258.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| Antineoplastic agents. 509: synthesis of fluorcombstatin phosphate and related 3-halostilbenes(1). | Journal of natural products 20051001 |
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