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

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

Formula: C17H13F3O3

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

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

InChI: InChI=1S/C17H13F3O3/c18-17(19,20)13-5-1-11(2-6-13)3-7-14(21)12-4-8-15-16(9-12)23-10-22-15/h1-2,4-6,8-9H,3,7,10H2

Composition: C (63.36%), H (4.07%), F (17.68%), O (14.89%)

Molar Mass: 322.283

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 322.081678768
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PXBUCZNZTYPIFL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.52
Topological Polar Surface Area 35.53
Polarizability 29.06
Ring Count 3
Rotatable Bond Count 5

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C17H13F3O3 $1,301.00-$2,420.00$1,301.00$2,420.00
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