5-溴吲唑 | 53857-57-1
中文名称:
5-溴吲唑
英文名称:
5-Bromo-1H-indazole
CAS No.:
53857-57-1
分子式:
C7 H5 BrN2
分子量:
197.0320
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:5-溴吲唑结构式
名称和标识符
MDL
MFCD00839493
InChIKey
STVHMYNPQCLUNJ-UHFFFAOYSA-N
Inchi
1S/C7H5BrN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
SMILES
BrC1C([H])=C([H])C2=C(C([H])=NN2[H])C=1[H]
别名信息
- 中文别名 -
5-溴吲唑
5-溴-1H-吲唑
5-Bromoindazole 5-溴吲哚
5-溴吲哚
- 英文别名 -
5-Bromoindazole
5-Bromo-1H-indazole
1H-Indazole, 5-bromo-
5-Bromo (1H)indazole
5-Bromo-2H-indazole
5-brom-1h-indazol
MLS000088501
5-bromoazaindole
5-bromo-indazole
5- Bromoindazole
5-bromo-azaindole
5-bromo-1hindazole
4-Nitrotrityl chloride
PubChem15628
5-bromo-1 h-indazole
5-bromanyl-1H-indazole
2H-Indazole, 5-bromo-
KSC269G3N
AMBZ0279
cid_761929
HID1020
STVHMYNPQCLUNJ-UHFFFAOY
5-bromo-1H-indazole
CS-B0441
CS-B0441
BCP00022
BCP00022
A847415
A847415
J-516797
J-516797
EN300-86191
EN300-86191
AC-3105
AC-3105
STVHMYNPQCLUNJ-UHFFFAOYSA-N
STVHMYNPQCLUNJ-UHFFFAOYSA-N
BDBM50099398
BDBM50099398
DTXSID50354020
DTXSID50354020
SCHEMBL5562
SCHEMBL5562
1h-indazole, 5-bromo-
1h-indazole, 5-bromo-
MFCD26227374
MFCD26227374
A829800
A829800
CHEMBL16425
CHEMBL16425
PB14191
PB14191
EU-0038949
EU-0038949
AM20040662
AM20040662
C13486
C13486
BCP9000176
BCP9000176
465529-55-9
465529-55-9
FT-0647458
FT-0647458
AKOS000320310
AKOS000320310
PD182503
PD182503
HMS2497K17
HMS2497K17
SMR000024121
SMR000024121
Z57192026
Z57192026
SS-3596
SS-3596
53857-57-1
53857-57-1
A929190
A929190
SY003837
SY003837
5-Bromo-1H-indazole, 97%
5-Bromo-1H-indazole, 97%
MFCD00839493
MFCD00839493
物化性质
实验特性
LogP
2.32540
PSA
28.68000
折射率
1.728
沸点
333.8°C at 760 mmHg
熔点
130.0 to 134.0 deg-C
闪点
155.7℃
颜色与性状
Pale-yellow to Yellow-brown Solid
溶解性
不可用
密度
1.77
计算特性
精确分子量
195.96400
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
0
同位素质量
195.963611
重原子数量
10
复杂度
129
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)
2.9
互变异构体数量
2
表面电荷
0
拓扑分子极性表面积
28.7
海关数据
海关编码
2933990090
海关数据
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
An optimized procedure for direct access to 1H-indazole-3-carboxaldehyde derivatives by nitrosation of indoles
Arnaud Chevalier,Abdelaaziz Ouahrouch,Alexandre Arnaud,Thibault Gallavardin,Xavier Franck RSC Adv. 2018 8 13121
2.
The application of nitrogen heterocycles in mitochondrial-targeting fluorescent markers with neutral skeletons
Yue Wang,Bing Xu,Ru Sun,Yu-Jie Xu,Jian-Feng Ge J. Mater. Chem. B 2020 8 7466
3.
Novel (E)-3-(1-substituted-1H-indazol-5-yl)-N-hydroxypropenamides as histone deacetylase inhibitors: design, synthesis and structure–activity relationships
Minh Sang Doan,Eun Jae Park,Duong Tien Anh,Do Thi Mai Dung,Le Quang-Bao,Pham-The Hai,Dao Thi Kim Oanh,Truong Thanh Tung,Ik Ho Na,Joo Hee Kwon,Jong Soon Kang,Sang-Bae Han,Dinh Thi Thanh Hai,Nguyen-Hai Nam New J. Chem. 2023 47 4478
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