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180537-75-1 | Benzenebutanamide, 4-bromo-N-(5-bromo-2-pyridinyl)-α,γ-dioxo-
CAS No: 180537-75-1 Catalog No: AG002230 MDL No:
Product Description
Catalog Number:
AG002230
Chemical Name:
Benzenebutanamide, 4-bromo-N-(5-bromo-2-pyridinyl)-α,γ-dioxo-
CAS Number:
180537-75-1
Molecular Formula:
C15H10Br2N2O3
Molecular Weight:
426.0595
IUPAC Name:
4-(4-bromophenyl)-N-(5-bromopyridin-2-yl)-2,4-dioxobutanamide
InChI:
InChI=1S/C15H10Br2N2O3/c16-10-3-1-9(2-4-10)12(20)7-13(21)15(22)19-14-6-5-11(17)8-18-14/h1-6,8H,7H2,(H,18,19,22)
InChI Key:
REMLXJYZFYPQGT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)CC(=O)C(=O)Nc1ccc(cn1)Br
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.904g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.064g/mol
Monoisotopic Mass:
423.906g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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