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1-(2H-1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)propan-1-one

1-(2H-1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)propan-1-one

Formula: C16H12F2O3

SMILES: FC1=C(F)C=C(CCC(=O)C2=CC3=C(OCO3)C=C2)C=C1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)propan-1-one

InChI: InChI=1S/C16H12F2O3/c17-12-4-1-10(7-13(12)18)2-5-14(19)11-3-6-15-16(8-11)21-9-20-15/h1,3-4,6-8H,2,5,9H2

Composition: C (66.21%), H (4.17%), F (13.09%), O (16.54%)

Molar Mass: 290.266

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 290.075450572
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey CUKNKCCMLSCINF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.98
Topological Polar Surface Area 35.53
Polarizability 27.37
Ring Count 3
Rotatable Bond Count 4

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C16H12F2O3 $1,301.00-$2,420.00$1,301.00$1,901.00$2,420.00
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