Mol:
17617-23-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0
4.7962 4.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2306 4.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5269 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8866 3.1400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8866 4.7100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
12.2463 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2463 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8866 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5269 0.7850 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 1 0 0 0 0
4 5 1 0 0 0 0
3 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
14 15 1 0 0 0 0
15 9 2 0 0 0 0
10 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 8 1 0 0 0 0
19 20 2 0 0 0 0
16 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 21 2 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。
氟西泮 InChIKey: SAADBVWGJQAEFS-UHFFFAOYSA-N
氟西泮 Inchi: InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
氟西泮 SMILES: CCN(CCN1C(=O)CN=C(C2=CC=CC=C2F)C2=CC(=CC=C12)Cl)CC