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87943-96-2 | Benzenepropanoic acid, a-bromo-4-methoxy-b-oxo-, ethyl ester
CAS No: 87943-96-2 Catalog No: AG004D5N MDL No:
Product Description
Catalog Number:
AG004D5N
Chemical Name:
Benzenepropanoic acid, a-bromo-4-methoxy-b-oxo-, ethyl ester
CAS Number:
87943-96-2
Molecular Formula:
C12H13BrO4
Molecular Weight:
301.1332
IUPAC Name:
ethyl 2-bromo-3-(4-methoxyphenyl)-3-oxopropanoate
InChI:
InChI=1S/C12H13BrO4/c1-3-17-12(15)10(13)11(14)8-4-6-9(16-2)7-5-8/h4-7,10H,3H2,1-2H3
InChI Key:
OWFFTVVEZANQDO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)c1ccc(cc1)OC)Br
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.136g/mol
Monoisotopic Mass:
300g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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