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178871-76-6 | 2-Propen-1-one, 1-(6-bromo-2-pyridinyl)-3-(4-nitrophenyl)-
CAS No: 178871-76-6 Catalog No: AG0026EW MDL No:
Product Description
Catalog Number:
AG0026EW
Chemical Name:
2-Propen-1-one, 1-(6-bromo-2-pyridinyl)-3-(4-nitrophenyl)-
CAS Number:
178871-76-6
Molecular Formula:
C14H9BrN2O3
Molecular Weight:
333.1369
IUPAC Name:
1-(6-bromopyridin-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C14H9BrN2O3/c15-14-3-1-2-12(16-14)13(18)9-6-10-4-7-11(8-5-10)17(19)20/h1-9H
InChI Key:
PNMRONWRPTZBDV-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(n1)Br)C=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.98g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.141g/mol
Monoisotopic Mass:
331.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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