5-Chloro-2-hydroxyphenyl benzoate 5-氯-2-羟基苯甲酸酯

CAS 5876-98-2 MFCD14584785

化学结构图

5876-98-2
SMILES: O=C(Oc1cc(Cl)ccc1O)c1ccccc1

化学属性

Mol. Weight248.66
Mol. FormulaC13H9ClO3
Melting Point140-142°

别名和识别编码

Chemical Name5-Chloro-2-hydroxyphenyl benzoate
CAS Number5876-98-2
Alfabeta NameCHLOROHYDROXYPHENYLBENZENECARBOXYLATE 52---
MDL NumberMFCD14584785
Chemical Name Translation5-氯-2-羟基苯甲酸酯
PubChem Substance ID12571743
InChIInChI=1S/C13H9ClO3/c14-10-6-7-11(15)12(8-10)17-13(16)9-4-2-1-3-5-9/h1-8,15H
Synonym 5-Chloro-2-hydroxyphenyl benzoate {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-hydroxyphenyl benzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Canonical SMILESC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)Cl)O
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分类

  • {KO} ArylOHs

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
3
Rotatable Bonds
3
H-bond Donors
1
LogP
3

系列性分类

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