HCID532509

p-Toluic acid, 4-nitrophenyl ester

(4-nitrophenyl) 4-methylbenzoate

C14H11NO4257.24 g/molCAS 15023-67-3

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IDENTITY

结构与身份

标准SMILES: Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1
InChIKey: IQTZVMBCINKMHK-UHFFFAOYSA-N
分子式: C14H11NO4
平均分子量: 257.24 g/mol
单同位素质量: 257.06880783

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 72.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 323

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

2206

ALIASES

名称与别名

共 18 条

15023-67-3p-Toluic acid, 4-nitrophenyl esterDTXSID30336349RefChem:367802DTXCID80287438IQTZVMBCINKMHK-UHFFFAOYSA-N4-nitrophenyl 4-methylbenzoateBenzoic acid, 4-methyl-, 4-nitrophenyl ester(4-nitrophenyl) 4-methylbenzoate4-methylbenzoic acid 4-nitrophenyl esterSCHEMBL2597339SCHEMBL56938164-nitrophenyl 4-methyl-benzoateCHEMBL3272633p-Toluylic acid, 4-nitrophenyl esterAKOS001056693AN-652/06890053Z28211551

REACTIONS

参与反应

2 条

uspto-grants-2003_07 · 10.6084/m9.figshare.5104873.v1 · US06593355B2

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uspto-grants-2013_05 · 10.6084/m9.figshare.5104873.v1 · US08436009B2

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