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1192-50-3 | 2,4(3H,5H)-Furandione, 3-bromo-
CAS No: 1192-50-3 Catalog No: AG000ICK MDL No:MFCD00074929
Product Description
Catalog Number:
AG000ICK
Chemical Name:
2,4(3H,5H)-Furandione, 3-bromo-
CAS Number:
1192-50-3
Molecular Formula:
C4H3BrO3
Molecular Weight:
178.9688
MDL Number:
MFCD00074929
IUPAC Name:
3-bromooxolane-2,4-dione
InChI:
InChI=1S/C4H3BrO3/c5-3-2(6)1-8-4(3)7/h3H,1H2
InChI Key:
NQUQLVPYLYIBBR-UHFFFAOYSA-N
SMILES:
BrC1C(=O)COC1=O
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.927g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.969g/mol
Monoisotopic Mass:
177.927g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Conformationally constrained beta-amino acid derivatives by intramolecular [2 + 2]-photocycloaddition of a tetronic acid amide and subsequent lactone ring opening. | The Journal of organic chemistry 20051125 |
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