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20030-09-5 | 2(5H)-Furanone, 3,4-dichloro-5-(2-oxo-2-phenylethyl)-
CAS No: 20030-09-5 Catalog No: AG002COY MDL No:MFCD00101309
Product Description
Catalog Number:
AG002COY
Chemical Name:
2(5H)-Furanone, 3,4-dichloro-5-(2-oxo-2-phenylethyl)-
CAS Number:
20030-09-5
Molecular Formula:
C12H8Cl2O3
Molecular Weight:
271.0961
MDL Number:
MFCD00101309
IUPAC Name:
3,4-dichloro-2-phenacyl-2H-furan-5-one
InChI:
InChI=1S/C12H8Cl2O3/c13-10-9(17-12(16)11(10)14)6-8(15)7-4-2-1-3-5-7/h1-5,9H,6H2
InChI Key:
PLGTYAKXILKSKJ-UHFFFAOYSA-N
SMILES:
O=C1OC(C(=C1Cl)Cl)CC(=O)c1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.985g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.093g/mol
Monoisotopic Mass:
269.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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