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ethyl 4-(2-bromo-4-fluorophenyl)-3-oxobutanoate

ethyl 4-(2-bromo-4-fluorophenyl)-3-oxobutanoate

CAS: 1260801-75-9

Formula: C12H12BrFO3

SMILES: CCOC(=O)CC(=O)CC1=C(Br)C=C(F)C=C1

IUPAC: ethyl 4-(2-bromo-4-fluorophenyl)-3-oxobutanoate

InChI: InChI=1S/C12H12BrFO3/c1-2-17-12(16)7-10(15)5-8-3-4-9(14)6-11(8)13/h3-4,6H,2,5,7H2,1H3

Composition: C (47.55%), H (3.99%), Br (26.36%), F (6.27%), O (15.83%)

Molar Mass: 303.127

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 301.995385
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey CBERFHDJMULNNL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.62
Topological Polar Surface Area 43.37
Polarizability 24.89
Ring Count 1
Rotatable Bond Count 6

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