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26510-95-2 | Benzenepropanoic acid, 4-bromo-β-oxo-, ethyl ester
CAS No: 26510-95-2 Catalog No: AG002TID MDL No:MFCD00231243
Product Description
Catalog Number:
AG002TID
Chemical Name:
Benzenepropanoic acid, 4-bromo-β-oxo-, ethyl ester
CAS Number:
26510-95-2
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
MDL Number:
MFCD00231243
IUPAC Name:
ethyl 3-(4-bromophenyl)-3-oxopropanoate
InChI:
InChI=1S/C11H11BrO3/c1-2-15-11(14)7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChI Key:
PBDYXCKRDRCJDC-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(=O)c1ccc(cc1)Br
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.11g/mol
Monoisotopic Mass:
269.989g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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