CAS号：

16079-88-2

3D弹球模型：

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分子式：

C5H6BrClN2O2

分子量：

241.471

中文名称：

1-溴-3-氯-5,5-二甲基海因

英文名称：

Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-

中文别名：

1-溴-3-氯-5,5-二甲基海因;
菌藻清;
溴氯海因;
BCDMH;
AKOS NCG-0076;
AKOS BBS-00002940;
3-AMINO-4-CARBETHOXY-2-PHENYLPYRAZOLE;
5-amino-4-carboethoxy-1-phenylyrazole;
ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate;
5-AMINO-4-CARBETHOXY-1-PHENYLPYRAZOLE;
Dicyclohexano-18-crown-6;
Dicyclohexo-18-crown-6;
Dicyclohexyl 18-crown-6;
Dicyclohexyl-18-crown-6 ether;
NSC 252171;
Perhydrodibenzo-18-crown-6;
cis-Dicyclohexano-18-crown-6;
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, eicosahydro-;
Icosahydrodibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin;
Dicyclohexano-18-crown-6, mixture of isomers;
icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aR,15aR,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aS,15aS,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aR,15aS,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aS,15aR,22aS)-icosahydrodi;
Dicyclohexano-18-crown-6 (mixture isomeres);
D-Gluconic acid, 2,4:2',4'-O-(oxydistibylidyne)bis-, Sb,Sb'-dioxide, tris

英文别名：

Hydantoin, 1-bromo-3-chloro-5,5-dimethyl-;
BCDMH;
di-Halo;
1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione;
1-Bromo-3-chloro-5,5-dimethylhydantoin;
2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-;
Agribrom;
N-Bromo-N'-chloro-5,5-dimethylhydantoin;
1-Bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione;
1-Bromo-3-chloro-5,5-Dimethyl hydantoin;
Dicyclohexano-18-crown-6;
Dicyclohexo-18-crown-6;
Dicyclohexyl 18-crown-6;
Dicyclohexyl-18-crown-6 ether;
NSC 252171;
Perhydrodibenzo-18-crown-6;
cis-Dicyclohexano-18-crown-6;
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, eicosahydro-;
Icosahydrodibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin;
Dicyclohexano-18-crown-6, mixture of isomers;
icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aR,15aR,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aS,15aS,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aR,15aS,22aS)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine;
(4aR,11aS,15aR,22aS)-icosahydrodi

EINECS：

240-230-0

InChI：

InChI=1/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3

计算化学数据

1.疏水参数计算参考值（XlogP）:1.3

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积:40.6

7.重原子数量:11

8.表面电荷:0

9.复杂度:231

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1