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1-(2H-1,3-benzodioxol-5-yl)-3-[5-(4-chlorophenyl)furan-2-yl]propan-1-one

1-(2H-1,3-benzodioxol-5-yl)-3-[5-(4-chlorophenyl)furan-2-yl]propan-1-one

Formula: C20H15ClO4

SMILES: ClC1=CC=C(C=C1)C1=CC=C(CCC(=O)C2=CC3=C(OCO3)C=C2)O1

IUPAC: 1-(2H-1,3-benzodioxol-5-yl)-3-[5-(4-chlorophenyl)furan-2-yl]propan-1-one

InChI: InChI=1S/C20H15ClO4/c21-15-4-1-13(2-5-15)18-10-7-16(25-18)6-8-17(22)14-3-9-19-20(11-14)24-12-23-19/h1-5,7,9-11H,6,8,12H2

Composition: C (67.71%), H (4.26%), Cl (9.99%), O (18.04%)

Molar Mass: 354.79

Atom Count: 40

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 354.0658867
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XYULGXWHABMVBF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.91
Topological Polar Surface Area 48.67
Polarizability 37.64
Ring Count 4
Rotatable Bond Count 5

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C20H15ClO4 $1,301.00-$2,420.00$1,301.00$1,901.00$2,420.00
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