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methyl 1-(4-bromophenyl)-3-oxocyclobutane-1-carboxylate

methyl 1-(4-bromophenyl)-3-oxocyclobutane-1-carboxylate

Formula: C12H11BrO3

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

IUPAC: methyl 1-(4-bromophenyl)-3-oxocyclobutane-1-carboxylate

InChI: InChI=1S/C12H11BrO3/c1-16-11(15)12(6-10(14)7-12)8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3

Composition: C (50.91%), H (3.92%), Br (28.22%), O (16.95%)

Molar Mass: 283.121

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.989157
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LURHGJIPPTYEDO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.27
Topological Polar Surface Area 43.37
Polarizability 24.36
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C12H11BrO3 $98.18-$3,702.60$98.18$166.43$343.15$551.65$923.78$2,244.00$3,702.60
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98% <10 Days C12H11BrO3 Quote Only
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