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180537-71-7 | Benzenebutanamide, N-(5-bromo-2-pyridinyl)-4-methyl-α,γ-dioxo-
CAS No: 180537-71-7 Catalog No: AG002231 MDL No:
Product Description
Catalog Number:
AG002231
Chemical Name:
Benzenebutanamide, N-(5-bromo-2-pyridinyl)-4-methyl-α,γ-dioxo-
CAS Number:
180537-71-7
Molecular Formula:
C16H13BrN2O3
Molecular Weight:
361.1900
IUPAC Name:
N-(5-bromopyridin-2-yl)-4-(4-methylphenyl)-2,4-dioxobutanamide
InChI:
InChI=1S/C16H13BrN2O3/c1-10-2-4-11(5-3-10)13(20)8-14(21)16(22)19-15-7-6-12(17)9-18-15/h2-7,9H,8H2,1H3,(H,18,19,22)
InChI Key:
NGWZNBSIWBDQAJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)CC(=O)C(=O)Nc1ccc(cn1)Br
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.011g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
361.195g/mol
Monoisotopic Mass:
360.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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