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886496-93-1 | 3-[5-(4-Bromo-phenyl)-furan-2-yl]-acrylic acid ethyl ester
CAS No: 886496-93-1 Catalog No: AG01EYBV MDL No:
Product Description
Catalog Number:
AG01EYBV
Chemical Name:
3-[5-(4-Bromo-phenyl)-furan-2-yl]-acrylic acid ethyl ester
CAS Number:
886496-93-1
Molecular Formula:
C15H13BrO3
Molecular Weight:
321.1659
IUPAC Name:
ethyl 3-[5-(4-bromophenyl)furan-2-yl]prop-2-enoate
InChI:
InChI=1S/C15H13BrO3/c1-2-18-15(17)10-8-13-7-9-14(19-13)11-3-5-12(16)6-4-11/h3-10H,2H2,1H3
InChI Key:
HDHHYESZXUNDOA-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C=C/c1ccc(o1)c1ccc(cc1)Br
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.005g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.17g/mol
Monoisotopic Mass:
320.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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