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129626-52-4 | 3-[5-(2-Bromo-phenyl)-furan-2-yl]-acrylic acid
CAS No: 129626-52-4 Catalog No: AG01FA1H MDL No:
Product Description
Catalog Number:
AG01FA1H
Chemical Name:
3-[5-(2-Bromo-phenyl)-furan-2-yl]-acrylic acid
CAS Number:
129626-52-4
Molecular Formula:
C13H9BrO3
Molecular Weight:
293.1128
IUPAC Name:
3-[5-(2-bromophenyl)furan-2-yl]prop-2-enoic acid
InChI:
InChI=1S/C13H9BrO3/c14-11-4-2-1-3-10(11)12-7-5-9(17-12)6-8-13(15)16/h1-8H,(H,15,16)
InChI Key:
FVCBRTBMTOOITC-UHFFFAOYSA-N
SMILES:
OC(=O)/C=C/c1ccc(o1)c1ccccc1Br
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.974g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.116g/mol
Monoisotopic Mass:
291.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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