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(2E)-1-(azepan-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

(2E)-1-(azepan-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

Formula: C15H18FNO

SMILES: FC1=CC=C(C=CC(=O)N2CCCCCC2)C=C1

IUPAC: (2E)-1-(azepan-1-yl)-3-(4-fluorophenyl)prop-2-en-1-one

InChI: InChI=1S/C15H18FNO/c16-14-8-5-13(6-9-14)7-10-15(18)17-11-3-1-2-4-12-17/h5-10H,1-4,11-12H2/b10-7+

Composition: C (72.85%), H (7.34%), F (7.68%), N (5.66%), O (6.47%)

Molar Mass: 247.313

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 247.137242367
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YMMOTEFNABWLOR-JXMROGBWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.63
Topological Polar Surface Area 20.31
Polarizability 26.78
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H18FNO $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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