Mol:
16732-70-0.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0
4.0790 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0790 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 2.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 4 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 2 2 0 0 0 0
6 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
M END
如需查看或获取完整mol文件,请关注官方微信公众号(微信搜一搜:Chem960),回复CAS号+“mol”(如回复:98-98-6 mol)免费获取。
5-溴吲哚-2-羧酸乙酯 MDL: MFCD00022701
5-溴吲哚-2-羧酸乙酯 InChIKey: LWRLKENDQISGEU-UHFFFAOYSA-N
5-溴吲哚-2-羧酸乙酯 Inchi: 1S/C11H10BrNO2/c1-2-15-11(14)10-6-7-5-8(12)3-4-9(7)13-10/h3-6,13H,2H2,1H3
5-溴吲哚-2-羧酸乙酯 SMILES: BrC1C([H])=C([H])C2=C(C=1[H])C([H])=C(C(=O)OC([H])([H])C([H])([H])[H])N2[H]