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1-(4-bromophenyl)-3-ethoxypropan-1-one

1-(4-bromophenyl)-3-ethoxypropan-1-one

Formula: C11H13BrO2

SMILES: CCOCCC(=O)C1=CC=C(Br)C=C1

IUPAC: 1-(4-bromophenyl)-3-ethoxypropan-1-one

InChI: InChI=1S/C11H13BrO2/c1-2-14-8-7-11(13)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3

Composition: C (51.38%), H (5.10%), Br (31.08%), O (12.44%)

Molar Mass: 257.127

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 256.009893
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WHSWTQDFFOMRKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.99
Topological Polar Surface Area 26.3
Polarizability 23.07
Ring Count 1
Rotatable Bond Count 5

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Kinentia Biosciences LLC
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Purity LeadTime Formula PacketSize UnitPrice
97% <14 Days C11H13BrO2 $107.73-$404.46$107.73$404.46
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