1-Methyl-5-Nitro-1H-Benzo[D]Imidazole 1-甲基-5-硝基-1H-苯并[d]咪唑

CAS 5381-78-2 MFCD00628958

化学结构图

5381-78-2
SMILES: Cn1cnc2cc([N+](=O)[O-])ccc21

化学属性

Mol. FormulaC8H7N3O2
Mol. Weight177.16
Melting Point213-215 °C
Boiling Point358.6±34.0 °C at 760 mmHg
Flash Point170.7±25.7 °C

别名和识别编码

Chemical Name1-Methyl-5-Nitro-1H-Benzo[D]Imidazole
CAS Number5381-78-2
Alfabeta NameMETHYLNITROBENZIMIDAZOLE H15113------,
MDL NumberMFCD00628958
Chemical Name Translation1-甲基-5-硝基-1H-苯并[d]咪唑
InChIKeyAMIYGFTVNIDCPN-UHFFFAOYSA-N
LabNetwork Molecule IDLN00150492
PubChem Substance ID96173
InChIInChI=1S/C8H7N3O2/c1-10-5-9-7-4-6(11(12)13)2-3-8(7)10/h2-5H,1H3
Synonym 1-Methyl-5-nitro-1H-benzo[d]imidazole {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-5-nitro-1H-benzo[d]imidazole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Methyl-5-nitro-1
Canonical SMILESCN1C=NC2=C1C=CC(=C2)[N+](=O)[O-]
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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)

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

系列性分类

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