Methyl 2-fluoro-4-nitrobenzoate 2-氟-4-硝基苯甲酸甲酯

CAS 392-09-6 MFCD08444028

化学结构图

392-09-6
SMILES: COC(=O)c1ccc([N+](=O)[O-])cc1F

化学属性

Mol. FormulaC8H6FNO4
Mol. Weight199.14
Melting Point73-75 °C
Density1.388
Boiling Point314.6°C at 760 mmHg

别名和识别编码

Chemical NameMethyl 2-fluoro-4-nitrobenzoate
CAS Number392-09-6
Alfabeta NameMETHYLFLUORONITROBENZENECARBOXYLATE 24---
MDL NumberMFCD08444028
EC Number206-873-6
Synonym Methyl 2-fluoro-4-nitrobenzoate {LY} Methyl 2-fluoro-4-nitrobenzoate {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-fluoro-4-nitrobe
Chemical Name Translation2-氟-4-硝基苯甲酸甲酯
InChIKeyKJCVCRCYCOWPFY-UHFFFAOYSA-N
LabNetwork Molecule IDLN00010030
PubChem Substance ID3013872
InChIInChI=1S/C8H6FNO4/c1-14-8(11)6-3-2-5(10(12)13)4-7(6)9/h2-4H,1H3
Canonical SMILESCOC(C1=C(F)C=C([N+]([O-])=O)C=C1)=O
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分类

  • {KO} Nitros
  • {KO} Esters

安全信息

Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
0
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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