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7397-23-1 | 2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-
CAS No: 7397-23-1 Catalog No: AG005IUR MDL No:
Product Description
Catalog Number:
AG005IUR
Chemical Name:
2-Propen-1-one,3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-
CAS Number:
7397-23-1
Molecular Formula:
C16H11FO3
Molecular Weight:
270.2551
IUPAC Name:
3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one
InChI:
InChI=1S/C16H11FO3/c17-13-5-3-12(4-6-13)14(18)7-1-11-2-8-15-16(9-11)20-10-19-15/h1-9H,10H2
InChI Key:
HDSDUHZGXYSYKW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)C=Cc1ccc2c(c1)OCO2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.259g/mol
Monoisotopic Mass:
270.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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