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199536-62-4 | 2(5H)-Furanone, 3-bromo-4-(bromomethyl)-
CAS No: 199536-62-4 Catalog No: AG002C64 MDL No:
Product Description
Catalog Number:
AG002C64
Chemical Name:
2(5H)-Furanone, 3-bromo-4-(bromomethyl)-
CAS Number:
199536-62-4
Molecular Formula:
C5H4Br2O2
Molecular Weight:
255.8921
IUPAC Name:
4-bromo-3-(bromomethyl)-2H-furan-5-one
InChI:
InChI=1S/C5H4Br2O2/c6-1-3-2-9-5(8)4(3)7/h1-2H2
InChI Key:
QDJFFEOYBDSZNL-UHFFFAOYSA-N
SMILES:
BrCC1=C(Br)C(=O)OC1
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.856g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.893g/mol
Monoisotopic Mass:
253.858g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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