methyl 2-[(4-formylphenoxy)methyl]-3-nitrobenzenecarboxylate
CAS 885949-38-2 MFCD06200975
化学结构图
SMILES: COC(=O)C1C=CC=C(C=1COC1C=CC(=CC=1)C=O)[N+]([O-])=O
化学属性
| Mol. Formula | C16H13NO6 |
|---|---|
| Mol. Weight | 315 |
| Melting Point | 63-65° |
别名和识别编码
| Chemical Name | methyl 2-[(4-formylphenoxy)methyl]-3-nitrobenzenecarboxylate |
|---|---|
| Alfabeta Name | METHYLFORMYLPHENOXYMETHYLNITROBENZENECARBOXYLATE 243[]()---- |
| MDL Number | MFCD06200975 |
| CAS Number | 885949-38-2 |
| Synonym | methyl 2-[(4-formylphenoxy)methyl]-3-nitrobenzenecarboxylate |
| PubChem Substance ID | 329789944 |
| Chemical Name Translation |
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分类
- {SNA} Building Blocks, C16 to C21, Chemical Synthesis, Ethers, Nitro Compounds, Nitrogen Compounds, Nitroso Compounds, Organic Building Blocks, Oxygen Compounds
- {KO} Nitros
- {KO} Aldehydes
- {KO} Esters
安全信息
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 5
Y
H-bond Acceptors
6
Rotatable Bonds
6
H-bond Donors
0
LogP
2
