2-Chloro-4-(1H-1,2,4-triazol-1-yl)-benzenecarboxylic acid

CAS 220141-15-1 MFCD09152733

化学结构图

220141-15-1
SMILES: OC(=O)C1=CC=C(C=C1Cl)N1C=NC=N1

化学属性

Mol. FormulaC9H6ClN3O2
Mol. Weight223.62
Melting Point242-244°

别名和识别编码

Chemical Name2-chloro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylic acid
Alfabeta NameCHLOROTRIAZOLYLBENZENECARBOXYLICACID H2411241()--------,,
MDL NumberMFCD09152733
Synonym 2-chloro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxylic acid
CAS Number220141-15-1
Chemical Name Translation
PubChem Substance ID329789842
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Triazoles
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P305+P351+P338
Signal word Warning
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
Hazard Codes Xi
Risk Statements
  • R36 Irritating to eyes 刺激眼睛

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
1
LogP
2

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Triazoles - Halogenated Heterocycles

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