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137776-72-8 | 2H-Pyran-2-one, 3,5-dibromo-5,6-dihydro-
CAS No: 137776-72-8 Catalog No: AG0013U7 MDL No:MFCD20486239
Product Description
Catalog Number:
AG0013U7
Chemical Name:
2H-Pyran-2-one, 3,5-dibromo-5,6-dihydro-
CAS Number:
137776-72-8
Molecular Formula:
C5H4Br2O2
Molecular Weight:
255.8921
MDL Number:
MFCD20486239
IUPAC Name:
3,5-dibromo-2,3-dihydropyran-6-one
InChI:
InChI=1S/C5H4Br2O2/c6-3-1-4(7)5(8)9-2-3/h1,3H,2H2
InChI Key:
JDISJGGRGCJYPN-UHFFFAOYSA-N
SMILES:
BrC1=CC(Br)COC1=O
Properties
Complexity:
164
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:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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