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20030-12-0

20030-12-0 | 2(5H)-Furanone, 3,4-dibromo-5-(2-oxo-2-phenylethyl)-

CAS No: 20030-12-0 Catalog No: AG002COX MDL No:

Product Description

Catalog Number:
AG002COX
Chemical Name:
2(5H)-Furanone, 3,4-dibromo-5-(2-oxo-2-phenylethyl)-
CAS Number:
20030-12-0
Molecular Formula:
C12H8Br2O3
Molecular Weight:
359.9981
IUPAC Name:
3,4-dibromo-2-phenacyl-2H-furan-5-one
InChI:
InChI=1S/C12H8Br2O3/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:
GGFUCFGZIPIQGA-UHFFFAOYSA-N
SMILES:
O=C1OC(C(=C1Br)Br)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:
359.882g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.001g/mol
Monoisotopic Mass:
357.884g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

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