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Home > Bromides > 1260801-75-9
1260801-75-9 | Benzenebutanoic acid, 2-bromo-4-fluoro-β-oxo-, ethyl ester
CAS No: 1260801-75-9 Catalog No: AG000RBJ MDL No:
Product Description
Catalog Number:
AG000RBJ
Chemical Name:
Benzenebutanoic acid, 2-bromo-4-fluoro-β-oxo-, ethyl ester
CAS Number:
1260801-75-9
Molecular Formula:
C12H12BrFO3
Molecular Weight:
303.1243
IUPAC Name:
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
InChI Key:
CBERFHDJMULNNL-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)Cc1ccc(cc1Br)F
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.995g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.127g/mol
Monoisotopic Mass:
301.995g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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