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114430-36-3 | 2-Furancarboxylic acid, 5-bromo-, propyl ester
CAS No: 114430-36-3 Catalog No: AG000BC7 MDL No:
Product Description
Catalog Number:
AG000BC7
Chemical Name:
2-Furancarboxylic acid, 5-bromo-, propyl ester
CAS Number:
114430-36-3
Molecular Formula:
C8H9BrO3
Molecular Weight:
233.0593
IUPAC Name:
propyl 5-bromofuran-2-carboxylate
InChI:
InChI=1S/C8H9BrO3/c1-2-5-11-8(10)6-3-4-7(9)12-6/h3-4H,2,5H2,1H3
InChI Key:
YNJZMCAPSZDHHK-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccc(o1)Br
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.061g/mol
Monoisotopic Mass:
231.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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