4-(4-Methyl-2-nitro-phenoxymethyl)-benzoic acid methyl ester
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Product Code | F027128 |
---|---|
Product Name | 4-(4-Methyl-2-nitro-phenoxymethyl)-benzoic acid methyl ester |
CAS | 832740-11-1 |
Molecular weight | 301.298 |
IUPAC Name | methyl 4-[(4-methyl-2-nitrophenoxy)methyl]benzoate |
SMILES | COC(=O)C1=CC=C(COC2=C(C=C(C)C=C2)[N+]([O-])=O)C=C1 |
INCHI Code | InChI=1S/C16H15NO5/c1-11-3-8-15(14(9-11)17(19)20)22-10-12-4-6-13(7-5-12)16(18)21-2/h3-9H,10H2,1-2H3 |
Asymmetric atoms | 0 |
LogP | 3.9969301 |
H bond acceptors | 4 |
H bond donors | 0 |
fsp3 | 0.1875 |
Concept Codes | Phenyl, Ester, Ether, Nitro, Methyl, Tolyl, Nitrobenzene, Cyclic, Aromatic, Benzoate |