3-硝基-2-羟基联苯-3-羧酸 | 376591-95-6
3-硝基-2-羟基联苯-3-羧酸
3’-Nitro-2’-hydroxy1,1’-biphenyl-3-carboxylic Acid
376591-95-6
C13H9NO5
259.21426
名称和标识符
MDL |
MFCD11558889 |
InChIKey |
JCFPSTQCDAZKJN-UHFFFAOYSA-N |
Inchi |
InChI=1S/C13H9NO5/c15-12-10(5-2-6-11(12)14(18)19)8-3-1-4-9(7-8)13(16)17/h1-7,15H,(H,16,17) |
SMILES |
[N+](C1=C(C(C=2C=C(C(=O)O)C=CC2)=CC=C1)O)([O-])=O |
别名信息
- 中文别名 -
- 2’-羟基-3’-硝基-联苯-3-羧酸
- 2’-羟基-3’-硝基联苯-3-羧酸
- 2-羟基-3'-硝基-联苯-3-甲酸
- 2-羟基-3-硝基-联苯-3-羧酸
- 3''-硝基-2''-羟基联苯-3-羧酸
- 3-硝基-2-羟基联苯-3-羧酸
- 2'-羟基-3'-硝基联苯-3-羧酸
- 英文别名 -
- [1,1'-Biphenyl]-3-carboxylicacid, 2'-hydroxy-3'-nitro-
- 3-(2-hydroxy-3-nitrophenyl)benzoic acid
- [1,1'-Biphenyl]-3-carboxylic acid,2'-hydroxy-3'-nitro
- 2-HYDROXY-3A'A inverted exclamation markA'A A'A inverted exclamation markA'A-NITRO-BIPHENYL-3-CARBOXYLIC ACID
- 2-HYDROXY-3''-NITRO-BIPHENYL-3-CARBOXYLIC ACID
- BIP029
- E78329
- E78329
- AKOS025405136
- AKOS025405136
- SCHEMBL408308
- SCHEMBL408308
- 2-HYDROXY-3-NITRO-BIPHENYL-3-CARBOXYLICACID
- 2-HYDROXY-3-NITRO-BIPHENYL-3-CARBOXYLICACID
- AS-69305
- AS-69305
- 2'-Hydroxy-3'-nitro-[1,1'-biphenyl]-3-carboxylicacid
- 2'-Hydroxy-3'-nitro-[1,1'-biphenyl]-3-carboxylicacid
- 3-(2-hydroxy-3-nitro-phenyl)benzoic acid
- 3-(2-hydroxy-3-nitro-phenyl)benzoic acid
- 376591-95-6
- 376591-95-6
- 2'-HYDROXY-3'-NITROBIPHENYL-3-CARBOXYLIC ACID
- 2'-HYDROXY-3'-NITROBIPHENYL-3-CARBOXYLIC ACID
- FT-0689794
- FT-0689794
- 3trade mark-Nitro-2trade mark-hydroxy[1,1trade mark]-biphenyl-3-carboxylic Acid
- 3trade mark-Nitro-2trade mark-hydroxy[1,1trade mark]-biphenyl-3-carboxylic Acid
- JCFPSTQCDAZKJN-UHFFFAOYSA-N
- JCFPSTQCDAZKJN-UHFFFAOYSA-N
- BQA59195
- BQA59195
- 2'-Hydroxy-3'-Nitro-(1,1'-Biphenyl)-3-Carboxylic Acid
- 2'-Hydroxy-3'-Nitro-(1,1'-Biphenyl)-3-Carboxylic Acid
- 2'-hydroxy-3'-nitro-3-biphenylcarboxylic acid
- 2'-hydroxy-3'-nitro-3-biphenylcarboxylic acid
- 2'-Hydroxy-3'-nitro[1,1'-biphenyl]-3-carboxylic acid
- 2'-Hydroxy-3'-nitro[1,1'-biphenyl]-3-carboxylic acid
- AMY18518
- AMY18518
- 2'-Hydroxy-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid
- 2'-Hydroxy-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid
- MFCD11558889
- MFCD11558889
- DTXSID40626324
- DTXSID40626324
物化性质
实验特性
LogP |
3.18880 |
PSA |
103.35000 |
溶解度 |
Very 微溶 (0.11 g/L) (25 ºC), |
密度 |
1.460±0.06 g/cm3 (20 ºC 760 Torr), |
计算特性
精确分子量 |
259.04800 |
氢键供体数量 |
2 |
氢键受体数量 |
3 |
可旋转化学键数量 |
3 |
同位素质量 |
259.04807239g/mol |
重原子数量 |
19 |
复杂度 |
353 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
3.1 |
互变异构体数量 |
4 |
表面电荷 |
0 |
拓扑分子极性表面积 |
103Ų |
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