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Home > Nitro Compounds > 84954-06-3
84954-06-3 | Urea, N-(4-cyano-3-methoxyphenyl)-N'-(2-hydroxy-4-nitrophenyl)-
CAS No: 84954-06-3 Catalog No: AG004V63 MDL No:
Product Description
Catalog Number:
AG004V63
Chemical Name:
Urea, N-(4-cyano-3-methoxyphenyl)-N'-(2-hydroxy-4-nitrophenyl)-
CAS Number:
84954-06-3
Molecular Formula:
C15H12N4O5
Molecular Weight:
328.2796
IUPAC Name:
1-(4-cyano-3-methoxyphenyl)-3-(2-hydroxy-4-nitrophenyl)urea
InChI:
InChI=1S/C15H12N4O5/c1-24-14-6-10(3-2-9(14)8-16)17-15(21)18-12-5-4-11(19(22)23)7-13(12)20/h2-7,20H,1H3,(H2,17,18,21)
InChI Key:
HKYRCWRUTAFICF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1OC)NC(=O)Nc1ccc(cc1O)[N+](=O)[O-]
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.081g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.284g/mol
Monoisotopic Mass:
328.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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