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126801-20-5 | Urea, N-(3,4-dibromo-2,5-dihydro-5-oxo-2-furanyl)-N'-phenyl-
CAS No: 126801-20-5 Catalog No: AG000T9C MDL No:
Product Description
Catalog Number:
AG000T9C
Chemical Name:
Urea, N-(3,4-dibromo-2,5-dihydro-5-oxo-2-furanyl)-N'-phenyl-
CAS Number:
126801-20-5
Molecular Formula:
C11H8Br2N2O3
Molecular Weight:
376.0008
IUPAC Name:
1-(3,4-dibromo-5-oxo-2H-furan-2-yl)-3-phenylurea
InChI:
InChI=1S/C11H8Br2N2O3/c12-7-8(13)10(16)18-9(7)15-11(17)14-6-4-2-1-3-5-6/h1-5,9H,(H2,14,15,17)
InChI Key:
ALYFSEUVPAQSFA-UHFFFAOYSA-N
SMILES:
O=C(NC1OC(=O)C(=C1Br)Br)Nc1ccccc1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.888g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.004g/mol
Monoisotopic Mass:
373.89g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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