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Home > Nitro Compounds > 850011-51-7
850011-51-7 | Formamide, N-[[(4-methylphenyl)sulfonyl](4-nitrophenyl)methyl]-
CAS No: 850011-51-7 Catalog No: AG0050PM MDL No:
Product Description
Catalog Number:
AG0050PM
Chemical Name:
Formamide, N-[[(4-methylphenyl)sulfonyl](4-nitrophenyl)methyl]-
CAS Number:
850011-51-7
Molecular Formula:
C15H14N2O5S
Molecular Weight:
334.3471
IUPAC Name:
N-[(4-methylphenyl)sulfonyl-(4-nitrophenyl)methyl]formamide
InChI:
InChI=1S/C15H14N2O5S/c1-11-2-8-14(9-3-11)23(21,22)15(16-10-18)12-4-6-13(7-5-12)17(19)20/h2-10,15H,1H3,(H,16,18)
InChI Key:
ZIRGPAADGQNNCX-UHFFFAOYSA-N
SMILES:
O=CNC(S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.346g/mol
Monoisotopic Mass:
334.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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