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Methyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate 3-(2-氯苯基)-5-甲基异噁唑-4-羧酸甲酯
CAS 4357-94-2 MFCD00214711
化学结构图
SMILES: COC(=O)c1c(-c2ccccc2Cl)noc1C
化学属性
Mol. Formula
C12H10ClNO3
Mol. Weight
251.67
Melting Point
56-58 °C
Boiling Point
372.1±42.0 °C at 760 mmHg
别名和识别编码
Chemical Name
Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
CAS Number
4357-94-2
Alfabeta Name
METHYLCHLOROPHENYLMETHYLISOXAZOLECARBOXYLATE 3254()------
MDL Number
MFCD00214711
Chemical Name Translation
3-(2-氯苯基)-5-甲基异噁唑-4-羧酸甲酯
LabNetwork Molecule ID
LN00146761
PubChem Substance ID
2763469
InChI
InChI=1S/C12H10ClNO3/c1-7-10(12(15)16-2)11(14-17-7)8-5-3-4-6-9(8)13/h3-6H,1-2H3
Synonym
Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {} {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {} {} {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {} {} {} {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {} {} {} {} {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {} {} {} {} {} {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {} {} {} {} {} {} {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-(2-chlorophenyl)-5
Canonical SMILES
CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OC
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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
2
系列性分类
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