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Home > Bromides > 1001922-15-1
1001922-15-1 | Benzenepropanoic acid, α-bromo-4-fluoro-β-oxo-, methyl ester
CAS No: 1001922-15-1 Catalog No: AG000177 MDL No:
Product Description
Catalog Number:
AG000177
Chemical Name:
Benzenepropanoic acid, α-bromo-4-fluoro-β-oxo-, methyl ester
CAS Number:
1001922-15-1
Molecular Formula:
C10H8BrFO3
Molecular Weight:
275.0711
IUPAC Name:
methyl 2-bromo-3-(4-fluorophenyl)-3-oxopropanoate
InChI:
InChI=1S/C10H8BrFO3/c1-15-10(14)8(11)9(13)6-2-4-7(12)5-3-6/h2-5,8H,1H3
InChI Key:
YQOLFGQIZQAZKK-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(=O)c1ccc(cc1)F)Br
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.073g/mol
Monoisotopic Mass:
273.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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