4-氯-2-(三氟乙酰基)苯胺盐酸盐 | 173676-59-0
4-氯-2-(三氟乙酰基)苯胺盐酸盐
2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate
173676-59-0
C8H6Cl2F3NO
260.0406
名称和标识符
MDL |
MFCD09263480 |
InChIKey |
PNLSPSLPBVQWAB-UHFFFAOYSA-N |
Inchi |
1S/C8H5ClF3NO.ClH/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12;/h1-3H,13H2;1H |
SMILES |
ClC1C([H])=C([H])C(=C(C(C(F)(F)F)=O)C=1[H])[N+]([H])([H])[H].[Cl-] |
别名信息
- 中文别名 -
- 4-氯-2-(三氟乙酰基)苯胺盐酸盐
- 4-氯-2-(三氟乙酰基)苯胺盐酸盐水合物(E-2)
- 1-(2-氨基-5-氯苯基)-2,2,2-三氟乙酮盐酸盐
- 2-(三氟乙酰基)-4-氯苯胺
- 4-氯-2-(三氟乙酰基)苯胺盐酸盐,4-Chloro-2-(trifluoroacetyl)aniline hydrochloride
- 4-氯-2-(三氟乙酰基)苯胺盐酸盐水合物
- 4-氯-2-三氟乙酰基苯胺水合物盐酸盐
- 4-氯-2三氟乙酰基苯胺盐酸盐
- E2:4-氯-2-三氟乙酰基苯胺水合物盐酸盐
- 艾法韦纶中间体E-2
- 依法韦仑中间体
- 依法韦仑中间体E2
- 艾法韦纶中间体
- 依法韦仑E-2
- 4-氯-2-(三氟乙酰基)苯胺盐酸盐E-2
- 4-氯-2-(三氟乙酰基)苯胺盐酸盐依法韦仑中间体
- 4-氯-2-(三氟乙酰基)苯胺盐酸盐 水合物
- 英文别名 -
- 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride hydrate
- 4-Chloro-2-(Trifluoro Acetyl)Aniline Hcl
- 4-Chloro-2-Trifluoroacetylaniline Hydrochloride Hydrate
- 4-Chloro-2-(trifluoroacetyl)aniline hydrochloride
- 4-Chloro-2-trifluoroacetylanilineHCl(E2)
- 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoroethan-1-one hydrochloride
- 4-Chloro-2-(Trifluoroacetyl)aniline Hydrochloride Hydrate (E-2)
- 1-(2-Amino-5-chlorophenyl)-2,2,2-trifluoro-ethanone Hydrochloride Hydrate
- 4-Chloro-2-trifluoro acetyl aniline HCL
- 1-(2-AMINO-5-CHLOROPHENYL)-2,2,2-TRIFLUOROETHANE-1,1-DIOL HYDROCHLORIDE
- 2-(Trifluoroacetyl)-
- 2-(TRIFLUOROACETYL)-4-CHLOROANILINE, HYDROCHLORIDE HYDRATE
- 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate (See C421880 for freebase)
- 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate
(See C421880 for freebase)
- 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone,hydrate,hydrochloride
- Ethanone,1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (9CI)
- Efavirenz Intermediate E-2
- Efavirenz Intermediate: Trifluoroethanone
- 4-CHLORO-2-(TRI FLUROACETYL)ANILINE HYDROCHLORIDE
- 4-CHLORO-2,2,2-TRIFLUORO ACETYL ANILINE HYDROCHLORIDE
- 4-Chloro-2-trifluoro acetyaniline hydrochloride hydrate
- [4-Chloro-2-(2,2,2-trifluoroacetyl)phenyl]azanium
- chloride
- 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrochloride
- AKOS015950822
- CS-0099280
- 173676-59-0
- AC-1096
- DS-19371
- PD088092
- MFCD09263480
- 4-chloro-2-(trifluoroacetyl)aniline hcl
- SY030453
- 4-Chloro-2-(trifluoroacetyl)aniline, HCl hydrate
- SCHEMBL16992931
- 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanone hydrate hydrochloride
- 4-Chloro-2-(trifluoroacetyl)aniline hydrochl
- PNLSPSLPBVQWAB-UHFFFAOYSA-N
- 2-(Trifluoroacetyl)-4-chloroaniline, Hydrochloride Hydrate
- 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoroethanonehydrochloride
- 1-(2-AMINO-5-CHLOROPHENYL)-2,2,2-TRIFLUOROETHANONE HCL
- A811549
- Ethanone, 1-(2-amino-5-chlorophenyl)-2,2,2-trifluoro-, hydrochloride (1:1)
- s5423
- O10257
- CCG-267050
物化性质
实验特性
LogP |
3.98610 |
PSA |
52.32000 |
沸点 |
No data available |
熔点 |
156-158°C |
蒸气压 |
No data available |
闪点 |
No data available |
颜色与性状 |
No data available |
计算特性
精确分子量 |
276.98800 |
氢键供体数量 |
1 |
氢键受体数量 |
5 |
可旋转化学键数量 |
1 |
同位素质量 |
276.988 |
重原子数量 |
15 |
复杂度 |
231 |
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 |
3 |
拓扑分子极性表面积 |
44.7 |