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1-(4-bromo-3-fluorophenyl)prop-2-yn-1-one

1-(4-bromo-3-fluorophenyl)prop-2-yn-1-one

Formula: C9H4BrFO

SMILES: FC1=C(Br)C=CC(=C1)C(=O)C#C

IUPAC: 1-(4-bromo-3-fluorophenyl)prop-2-yn-1-one

InChI: InChI=1S/C9H4BrFO/c1-2-9(12)6-3-4-7(10)8(11)5-6/h1,3-5H

Composition: C (47.61%), H (1.78%), Br (35.19%), F (8.37%), O (7.05%)

Molar Mass: 227.032

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.942956
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey QVNVSENJAKKDPB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.44
Topological Polar Surface Area 17.07
Polarizability 17.45
Ring Count 1
Rotatable Bond Count 1

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H4BrFO $2,200.00-$5,460.00$2,200.00$5,460.00
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