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Home > Bromides > 1800044-60-3
1800044-60-3 | Benzamide, N-[(1Z)-2-bromo-2-(2-nitrophenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS No: 1800044-60-3 Catalog No: AG0021KX MDL No:
Product Description
Catalog Number:
AG0021KX
Chemical Name:
Benzamide, N-[(1Z)-2-bromo-2-(2-nitrophenyl)-1-(1-piperidinylcarbonyl)ethenyl]-
CAS Number:
1800044-60-3
Molecular Formula:
C21H20BrN3O4
Molecular Weight:
458.3052
IUPAC Name:
N-[(Z)-1-bromo-1-(2-nitrophenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
InChI:
InChI=1S/C21H20BrN3O4/c22-18(16-11-5-6-12-17(16)25(28)29)19(21(27)24-13-7-2-8-14-24)23-20(26)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2,(H,23,26)/b19-18-
InChI Key:
KTYQKHKOSHYSAA-HNENSFHCSA-N
SMILES:
O=C(c1ccccc1)N/C(=C(/c1ccccc1[N+](=O)[O-])\Br)/C(=O)N1CCCCC1
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
457.064g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
458.312g/mol
Monoisotopic Mass:
457.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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