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951889-19-3 | Ethyl 4-(3-Bromo-2-thienyl)-4-oxobutanoate
CAS No: 951889-19-3 Catalog No: AG01FBFP MDL No:
Product Description
Catalog Number:
AG01FBFP
Chemical Name:
Ethyl 4-(3-Bromo-2-thienyl)-4-oxobutanoate
CAS Number:
951889-19-3
Molecular Formula:
C10H11BrO3S
Molecular Weight:
291.1615
IUPAC Name:
ethyl 4-(3-bromothiophen-2-yl)-4-oxobutanoate
InChI:
InChI=1S/C10H11BrO3S/c1-2-14-9(13)4-3-8(12)10-7(11)5-6-15-10/h5-6H,2-4H2,1H3
InChI Key:
HANQUKJYTLPXQK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1sccc1Br
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.961g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.159g/mol
Monoisotopic Mass:
289.961g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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