6-氯-2-甲基-2H-1,4-苯并恶嗪-3(4H)-酮 | 5791-00-4
6-氯-2-甲基-2H-1,4-苯并恶嗪-3(4H)-酮
6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
5791-00-4
C9H8ClNO2
197.6183
名称和标识符
MDL |
MFCD01744501 |
InChIKey |
MGOCBXKZDZRPMK-UHFFFAOYSA-N |
Inchi |
1S/C9H8ClNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12) |
SMILES |
ClC1C([H])=C([H])C2=C(C=1[H])N([H])C(C([H])(C([H])([H])[H])O2)=O |
别名信息
- 中文别名 -
- 6-氯-2-甲基-2H-1,4-苯并恶嗪-3(4H)-酮
- 英文别名 -
- 2H-1,4-Benzoxazin-3(4H)-one,6-chloro-2-methyl-
- 6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one
- 6-CHLORO-2-METHYL-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
- 2-methyl-3-oxo-6-chloro-2,3-dihydro-1,4-benzoxazine
- 4H-1,4-BENZOXAZIN-3-ONE,2,3-DIHYDRO-6-CHLORO-2-METHYL
- 6-Chloro-2-methyl-2,3-dihydro-4H-1,4-benzoxazin-3-one
- 6-chloro-2-methyl-4H-benzo[1,4]oxazin-3-one
- 6-chloro-3,4-dihydro-2-methyl-3-oxo-2H-1,4-benzoxazine
- 6-CHLORO-2-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
- 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one
- 4H-1,4-BENZOXAZIN-3-ONE, 2,3-DIHYDRO-6-CHLORO-2-METHYL-
- 2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
- MGOCBXKZDZRPMK-UHFFFAOYSA-N
- 2H-1,4
- SCHEMBL5670852
- Z1270207948
- DTXSID70973499
- 2-Methyl-6-chloro-1,4-benzoxazin-3-one
- 5791-00-4
- AKOS006229490
- MFCD01744501
- CS-0199170
- 6-Chloro-2-methyl-2H-1,4-benzoxazin-3(4H)-one, AldrichCPR
- 6-chloro-2-methyl-4H-1,4-benzoxazin-3-one
- 6-Chloro-2-methyl-2H-1,4-benzoxazin-3-ol
- AS-8097
- CHEMBL4559369
- MB02033
- C3138
- EN300-93748
物化性质
实验特性
LogP |
2.14450 |
PSA |
41.82000 |
折射率 |
1.552 |
沸点 |
356.9°C at 760 mmHg |
熔点 |
172.0 to 176.0 deg-C |
闪点 |
169.6°C |
密度 |
1.302 |
计算特性
精确分子量 |
197.02400 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
0 |
同位素质量 |
197.024356 |
重原子数量 |
13 |
复杂度 |
222 |
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 |
1 |
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) |
1.9 |
拓扑分子极性表面积 |
38.3 |