Mol:
13852-51-2.mol by:chem960.com
ChemDraw08031019472D
…………
0 0 0 0 0
4.0790 6.2800 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 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
6 7 1 0 0 0 0
6 8 1 0 0 0 0
8 2 2 0 0 0 0
5 9 1 0 0 0 0
3 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
M CHG 1 10 1
M CHG 1 12 -1
M END
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2-甲基-4-硝基-5-氯苯胺 MDL: MFCD00043921
2-甲基-4-硝基-5-氯苯胺 InChIKey: OKOSGBYZOWWAPH-UHFFFAOYSA-N
2-甲基-4-硝基-5-氯苯胺 Inchi: 1S/C7H7ClN2O2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,9H2,1H3
2-甲基-4-硝基-5-氯苯胺 SMILES: ClC1C([H])=C(C(C([H])([H])[H])=C([H])C=1[N+](=O)[O-])N([H])[H]