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Home > Nitro Compounds > 331962-50-6
331962-50-6 | 2-(2,3-Dimethyl-phenoxy)-N-(4-nitro-phenyl)-acetamide
CAS No: 331962-50-6 Catalog No: AG01EUZS MDL No:
Product Description
Catalog Number:
AG01EUZS
Chemical Name:
2-(2,3-Dimethyl-phenoxy)-N-(4-nitro-phenyl)-acetamide
CAS Number:
331962-50-6
Molecular Formula:
C16H16N2O4
Molecular Weight:
300.3092
IUPAC Name:
2-(2,3-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
InChI:
InChI=1S/C16H16N2O4/c1-11-4-3-5-15(12(11)2)22-10-16(19)17-13-6-8-14(9-7-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChI Key:
FDIYLVLRSCZIFW-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)[N+](=O)[O-])COc1cccc(c1C)C
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.111g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.314g/mol
Monoisotopic Mass:
300.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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