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ethyl 4-(3-bromophenyl)-2-hydroxy-4-oxobut-2-enoate

ethyl 4-(3-bromophenyl)-2-hydroxy-4-oxobut-2-enoate

CAS: 473537-92-7

Formula: C12H11BrO4

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

IUPAC: ethyl 4-(3-bromophenyl)-2-hydroxy-4-oxobut-2-enoate

InChI: InChI=1S/C12H11BrO4/c1-2-17-12(16)11(15)7-10(14)8-4-3-5-9(13)6-8/h3-7,15H,2H2,1H3

Composition: C (48.19%), H (3.71%), Br (26.71%), O (21.39%)

Molar Mass: 299.12

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 297.984072
Formal Charge 0
FSP3 0.17
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VCBGEOLISRFYDF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.53
Topological Polar Surface Area 63.6
Polarizability 25.48
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 473537-92-7 $103.68-$465.60$103.68$155.52$465.60
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