Mol:
14719-83-6.mol by:chem960.com
ChemDraw08031019472D
…………
86 3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4386 2.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3597 1.5700 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
1.3597 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.3550 0.0000 O 0 5 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 7 2 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
5 10 1 0 0 0 0
10 11 2 0 0 0 0
11 2 1 0 0 0 0
3 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
M CHG 1 12 1
M CHG 1 14 -1
M END
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4-氯-3-硝基苯甲酸甲酯 MDL: MFCD00016989
4-氯-3-硝基苯甲酸甲酯 InChIKey: XRTKWPWDSUNLHS-UHFFFAOYSA-N
4-氯-3-硝基苯甲酸甲酯 Inchi: 1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
4-氯-3-硝基苯甲酸甲酯 SMILES: ClC1C([H])=C([H])C(C(=O)OC([H])([H])[H])=C([H])C=1[N+](=O)[O-]