Mol:
362527-61-5.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0
4.0790 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7193 6.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 7.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.8500 0.0000 N 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
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
4 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 2 2 0 0 0 0
12 13 1 0 0 0 0
13 14 3 0 0 0 0
M END
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3-溴-4-氰基苯甲酸乙酯 MDL: MFCD13184275
3-溴-4-氰基苯甲酸乙酯 InChIKey: SVBBQSMUEOIQDZ-UHFFFAOYSA-N
3-溴-4-氰基苯甲酸乙酯 Inchi: 1S/C10H8BrNO2/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-5H,2H2,1H3
3-溴-4-氰基苯甲酸乙酯 SMILES: BrC1=C(C#N)C([H])=C([H])C(C(=O)OC([H])([H])C([H])([H])[H])=C1[H]