1-(2-nitrophenoxy)propan-2-one 1-(2-硝基苯氧基)丙-2-酮

CAS 5330-66-5 MFCD00024219

化学结构图

5330-66-5
SMILES: CC(=O)COc1ccccc1[N+](=O)[O-]

化学属性

Mol. FormulaC9H9NO4
Mol. Weight195.17
Melting Point69 °C
Boiling Point69 °C at 760 mmHg

别名和识别编码

Chemical Name1-(2-nitrophenoxy)propan-2-one
CAS Number5330-66-5
Alfabeta NameNITROPHENOXYACETONE 12()--
MDL NumberMFCD00024219
Chemical Name Translation1-(2-硝基苯氧基)丙-2-酮
InChIKeyPYVMIAYOZLGBQM-UHFFFAOYSA-N
LabNetwork Molecule IDLN00147672
PubChem Substance ID79239
InChIInChI=1S/C9H9NO4/c1-7(11)6-14-9-5-3-2-4-8(9)10(12)13/h2-5H,6H2,1H3
Synonym 1-(2-Nitrophenoxy)propan-2-one {LY} 1-(2-Nitrophenoxy)propan-2-one {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Nitrophenoxy)propan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(2-Ni
Canonical SMILESCC(=O)COC1=CC=CC=C1[N+](=O)[O-]
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分类

  • {KO} Nitros
  • {KO} Ketones

安全信息

Warnings IRRITANT
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
0
LogP
1

系列性分类

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