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Home > Nitro Compounds > 332018-46-9
332018-46-9 | 2-(4-Formyl-phenoxy)-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS No: 332018-46-9 Catalog No: AG01EV0E MDL No:
Product Description
Catalog Number:
AG01EV0E
Chemical Name:
2-(4-Formyl-phenoxy)-N-(2-methyl-5-nitro-phenyl)-acetamide
CAS Number:
332018-46-9
Molecular Formula:
C16H14N2O5
Molecular Weight:
314.2928
IUPAC Name:
2-(4-formylphenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
InChI:
InChI=1S/C16H14N2O5/c1-11-2-5-13(18(21)22)8-15(11)17-16(20)10-23-14-6-3-12(9-19)4-7-14/h2-9H,10H2,1H3,(H,17,20)
InChI Key:
HBGWJCMBUZZPHV-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCC(=O)Nc1cc(ccc1C)[N+](=O)[O-]
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.09g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.297g/mol
Monoisotopic Mass:
314.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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