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Home > Bromides > 1148041-59-1
1148041-59-1 | Benzenepropanamide, 4-bromo-N-(4-iodophenyl)-β-oxo-
CAS No: 1148041-59-1 Catalog No: AG000F8R MDL No:
Product Description
Catalog Number:
AG000F8R
Chemical Name:
Benzenepropanamide, 4-bromo-N-(4-iodophenyl)-β-oxo-
CAS Number:
1148041-59-1
Molecular Formula:
C15H11BrINO2
Molecular Weight:
444.0618
IUPAC Name:
3-(4-bromophenyl)-N-(4-iodophenyl)-3-oxopropanamide
InChI:
InChI=1S/C15H11BrINO2/c16-11-3-1-10(2-4-11)14(19)9-15(20)18-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)
InChI Key:
KAHMVSCCFXVDSZ-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)c1ccc(cc1)Br)Nc1ccc(cc1)I
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.902g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.066g/mol
Monoisotopic Mass:
442.902g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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