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ethyl 4-bromo-3-oxobutanoate

ethyl 4-bromo-3-oxobutanoate

CAS: 13176-46-0

Formula: C6H9BrO3

SMILES: CCOC(=O)CC(=O)CBr

IUPAC: ethyl 4-bromo-3-oxobutanoate

InChI: InChI=1S/C6H9BrO3/c1-2-10-6(9)3-5(8)4-7/h2-4H2,1H3

Composition: C (34.47%), H (4.34%), Br (38.22%), O (22.96%)

Molar Mass: 209.039

Atom Count: 19

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 207.973507
Formal Charge 0
FSP3 0.67
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MGDWUTQKXCZNAJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.79
Topological Polar Surface Area 43.37
Polarizability 15.63
Ring Count 0
Rotatable Bond Count 5

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