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951889-22-8 | Ethyl 5-(3-Bromo-2-thienyl)-5-oxovalerate
CAS No: 951889-22-8 Catalog No: AG01FBR7 MDL No:
Product Description
Catalog Number:
AG01FBR7
Chemical Name:
Ethyl 5-(3-Bromo-2-thienyl)-5-oxovalerate
CAS Number:
951889-22-8
Molecular Formula:
C11H13BrO3S
Molecular Weight:
305.1881
IUPAC Name:
ethyl 5-(3-bromothiophen-2-yl)-5-oxopentanoate
InChI:
InChI=1S/C11H13BrO3S/c1-2-15-10(14)5-3-4-9(13)11-8(12)6-7-16-11/h6-7H,2-5H2,1H3
InChI Key:
QOWLYHMPXWTAMU-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1sccc1Br
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.977g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.186g/mol
Monoisotopic Mass:
303.977g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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