Mol:
114164-97-5.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0 0 0 0
1.5700 3.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 4.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5700 6.2800 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.1400 4.7100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 4.7100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 2 1 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 15 1 0 0 0 0
M END
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2-甲基-5-三氟甲氧基苯并咪唑 MDL:
MFCD06659813
2-甲基-5-三氟甲氧基苯并咪唑 InChIKey:
BSROJRWZJKELNS-UHFFFAOYSA-N
2-甲基-5-三氟甲氧基苯并咪唑 Inchi:
InChI=1S/C9H7F3N2O/c1-5-13-7-3-2-6(4-8(7)14-5)15-9(10,11)12/h2-4H,1H3,(H,13,14)
2-甲基-5-三氟甲氧基苯并咪唑 SMILES:
FC(F)(F)OC1=CC=C2NC(C)=NC2=C1