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2910-87-4 | 2-Propen-1-one, 1-(2-bromophenyl)-3-(4-methoxyphenyl)-
CAS No: 2910-87-4 Catalog No: AG002XBU MDL No:
Product Description
Catalog Number:
AG002XBU
Chemical Name:
2-Propen-1-one, 1-(2-bromophenyl)-3-(4-methoxyphenyl)-
CAS Number:
2910-87-4
Molecular Formula:
C16H13BrO2
Molecular Weight:
317.1772
IUPAC Name:
1-(2-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H13BrO2/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11H,1H3
InChI Key:
KUUDSZSKWOKSAH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=CC(=O)c1ccccc1Br
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.01g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.182g/mol
Monoisotopic Mass:
316.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| (2E)-1-(2-Bromo-phen-yl)-3-(4-meth-oxy-phen-yl)prop-2-en-1-one. | Acta crystallographica. Section E, Structure reports online 20100701 |
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