N-(5-Chloro-4-Methyl-2-Nitrophenyl)Acetamide N-(2-硝基-4-甲基-5-氯苯基)乙酰胺

CAS 7149-78-2 MFCD00034545

化学结构图

7149-78-2
SMILES: CC(=O)Nc1cc(Cl)c(C)cc1[N+](=O)[O-]

化学属性

Mol. FormulaC9H9ClN2O3
Mol. Weight228.63
Melting Point104-105 °C
Boiling Point410.4±45.0 °C at 760 mmHg

别名和识别编码

Chemical NameN-(5-Chloro-4-Methyl-2-Nitrophenyl)Acetamide
CAS Number7149-78-2
Alfabeta NameCHLOROMETHYLNITROPHENYLACETAMIDE N542()------
MDL NumberMFCD00034545
Chemical Name TranslationN-(2-硝基-4-甲基-5-氯苯基)乙酰胺
LabNetwork Molecule IDLN00146864
PubChem Substance ID251680
InChIInChI=1S/C9H9ClN2O3/c1-5-3-9(12(14)15)8(4-7(5)10)11-6(2)13/h3-4H,1-2H3,(H,11,13)
Synonym 4-Acetamido-2-chloro-5-nitrotoluene {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetamido-2-chloro-5-nitrotoluene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Acetam
Canonical SMILESCC1=CC([N+]([O-])=O)=C(NC(C)=O)C=C1Cl
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分类

  • {KO} Nitros

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
1
H-bond Donors
1
LogP
1

系列性分类


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