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89406-17-7 | 2-Propen-1-one, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-
CAS No: 89406-17-7 Catalog No: AG003VY3 MDL No:
Product Description
Catalog Number:
AG003VY3
Chemical Name:
2-Propen-1-one, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenyl-
CAS Number:
89406-17-7
Molecular Formula:
C16H13BrO3
Molecular Weight:
333.1766
IUPAC Name:
3-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C16H13BrO3/c1-20-15-10-11(9-13(17)16(15)19)7-8-14(18)12-5-3-2-4-6-12/h2-10,19H,1H3
InChI Key:
KQFFBNPKNSPRSS-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)c2ccccc2)cc(c1O)Br
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.181g/mol
Monoisotopic Mass:
332.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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