Mol:
87808-49-9.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 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
10 11 1 0
8 12 1 0
10 5 1 0
M END
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2-溴-4-甲基苯甲酸甲酯 MDL: MFCD03840737
2-溴-4-甲基苯甲酸甲酯 InChIKey: DJTUYAFJAGLQCK-UHFFFAOYSA-N
2-溴-4-甲基苯甲酸甲酯 Inchi: 1S/C9H9BrO2/c1-6-3-4-7(8(10)5-6)9(11)12-2/h3-5H,1-2H3
2-溴-4-甲基苯甲酸甲酯 SMILES: O=C(C1C(Br)=CC(C)=CC=1)OC