Mol:
89901-03-1.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0
-3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5000 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
2 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
8 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
14 16 1 0
16 17 2 0
10 5 1 0
11 17 1 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。
4'-溴[1,1'-联苯]-4-甲酸甲酯 MDL: MFCD00496638
4'-溴[1,1'-联苯]-4-甲酸甲酯 InChIKey: JHNMJLKCONRGMK-UHFFFAOYSA-N
4'-溴[1,1'-联苯]-4-甲酸甲酯 Inchi: 1S/C14H11BrO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
4'-溴[1,1'-联苯]-4-甲酸甲酯 SMILES: O=C(C1C=CC(C2C=CC(Br)=CC=2)=CC=1)OC