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139292-29-8 | 3(2H)-Furanone, 2-[2-(4-bromophenyl)-2-oxoethylidene]-5-(4-methylphenyl)-
CAS No: 139292-29-8 Catalog No: AG001AOW MDL No:
Product Description
Catalog Number:
AG001AOW
Chemical Name:
3(2H)-Furanone, 2-[2-(4-bromophenyl)-2-oxoethylidene]-5-(4-methylphenyl)-
CAS Number:
139292-29-8
Molecular Formula:
C19H13BrO3
Molecular Weight:
369.2087
IUPAC Name:
2-[2-(4-bromophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one
InChI:
InChI=1S/C19H13BrO3/c1-12-2-4-14(5-3-12)18-11-17(22)19(23-18)10-16(21)13-6-8-15(20)9-7-13/h2-11H,1H3
InChI Key:
RWGQCWLSBQUBPK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1=CC(=O)C(=CC(=O)c2ccc(cc2)Br)O1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.005g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.214g/mol
Monoisotopic Mass:
368.005g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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