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14041-01-1 | Ethanone, 1-(4-bromophenyl)-2-(1-oxopropoxy)-
CAS No: 14041-01-1 Catalog No: AG001CDT MDL No:
Product Description
Catalog Number:
AG001CDT
Chemical Name:
Ethanone, 1-(4-bromophenyl)-2-(1-oxopropoxy)-
CAS Number:
14041-01-1
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
IUPAC Name:
[2-(4-bromophenyl)-2-oxoethyl] propanoate
InChI:
InChI=1S/C11H11BrO3/c1-2-11(14)15-7-10(13)8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChI Key:
UYFWVJLISVTMTK-UHFFFAOYSA-N
SMILES:
CCC(=O)OCC(=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:
2.7
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