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142082-64-2 | Acetamide, N-[[3-[[(4-nitrophenyl)methylene]amino]phenoxy]methyl]-
CAS No: 142082-64-2 Catalog No: AG001HQX MDL No:
Product Description
Catalog Number:
AG001HQX
Chemical Name:
Acetamide, N-[[3-[[(4-nitrophenyl)methylene]amino]phenoxy]methyl]-
CAS Number:
142082-64-2
Molecular Formula:
C16H15N3O4
Molecular Weight:
313.3080
IUPAC Name:
N-[[3-[(4-nitrophenyl)methylideneamino]phenoxy]methyl]acetamide
InChI:
InChI=1S/C16H15N3O4/c1-12(20)18-11-23-16-4-2-3-14(9-16)17-10-13-5-7-15(8-6-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)
InChI Key:
QNTRSNQRVWOUDM-UHFFFAOYSA-N
SMILES:
CC(=O)NCOc1cccc(c1)N=Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.106g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.313g/mol
Monoisotopic Mass:
313.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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