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Home > Nitro Compounds > 89541-59-3
89541-59-3 | Benzamide, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-3-nitro-
CAS No: 89541-59-3 Catalog No: AG0040JD MDL No:
Product Description
Catalog Number:
AG0040JD
Chemical Name:
Benzamide, N-[4-(4,5-dihydro-5-oxopyrazinyl)phenyl]-3-nitro-
CAS Number:
89541-59-3
Molecular Formula:
C17H12N4O4
Molecular Weight:
336.3016
IUPAC Name:
3-nitro-N-[4-(6-oxo-1H-pyrazin-3-yl)phenyl]benzamide
InChI:
InChI=1S/C17H12N4O4/c22-16-10-18-15(9-19-16)11-4-6-13(7-5-11)20-17(23)12-2-1-3-14(8-12)21(24)25/h1-10H,(H,19,22)(H,20,23)
InChI Key:
MSDKYPYCWUUYKB-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1ccc(cc1)c1c[nH]c(=O)cn1
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.086g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.307g/mol
Monoisotopic Mass:
336.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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