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126801-24-9 | Urea, N-(3,4-dibromo-2,5-dihydro-5-oxo-2-furanyl)-N'-(4-methylphenyl)-
CAS No: 126801-24-9 Catalog No: AG000T9B MDL No:
Product Description
Catalog Number:
AG000T9B
Chemical Name:
Urea, N-(3,4-dibromo-2,5-dihydro-5-oxo-2-furanyl)-N'-(4-methylphenyl)-
CAS Number:
126801-24-9
Molecular Formula:
C12H10Br2N2O3
Molecular Weight:
390.0274
IUPAC Name:
1-(3,4-dibromo-5-oxo-2H-furan-2-yl)-3-(4-methylphenyl)urea
InChI:
InChI=1S/C12H10Br2N2O3/c1-6-2-4-7(5-3-6)15-12(18)16-10-8(13)9(14)11(17)19-10/h2-5,10H,1H3,(H2,15,16,18)
InChI Key:
YWTIQFSRJNLIIT-UHFFFAOYSA-N
SMILES:
O=C(NC1OC(=O)C(=C1Br)Br)Nc1ccc(cc1)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.904g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.031g/mol
Monoisotopic Mass:
387.906g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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