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951886-44-5 | 2-Bromo-4-(5-Ethoxycarbonyl-2-furanyl)-1-butene
CAS No: 951886-44-5 Catalog No: AG01EZOU MDL No:
Product Description
Catalog Number:
AG01EZOU
Chemical Name:
2-Bromo-4-(5-Ethoxycarbonyl-2-furanyl)-1-butene
CAS Number:
951886-44-5
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
IUPAC Name:
ethyl 5-(3-bromobut-3-enyl)furan-2-carboxylate
InChI:
InChI=1S/C11H13BrO3/c1-3-14-11(13)10-7-6-9(15-10)5-4-8(2)12/h6-7H,2-5H2,1H3
InChI Key:
DAHSUKWEXRMJAY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(o1)CCC(=C)Br
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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