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114394-44-4 | Benzene, (bromophenylethenyl)- (9CI)
CAS No: 114394-44-4 Catalog No: AG000B8B MDL No:
Product Description
Catalog Number:
AG000B8B
Chemical Name:
Benzene, (bromophenylethenyl)- (9CI)
CAS Number:
114394-44-4
Molecular Formula:
C14H11Br
Molecular Weight:
259.1411
IUPAC Name:
(1-bromo-2-phenylethenyl)benzene
InChI:
InChI=1S/C14H11Br/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H
InChI Key:
WATOIJDGHUTRRF-UHFFFAOYSA-N
SMILES:
BrC(=Cc1ccccc1)c1ccccc1
Properties
Complexity:
207
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:
4.7
Literature
| Title | Journal |
|---|---|
| 2-Bromo-1,2-diphenylethenyl 4-methyl-phenyl sulfoxide. | Acta crystallographica. Section E, Structure reports online 20091101 |
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