Mol:
16263-52-8.mol by:chem960.com
ChemDraw08031019472D
…………
.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8870 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5274 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1677 0.7850 0.0000 C 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 1 0 0 0 0
5 6 2 0 0 0 0
6 2 1 0 0 0 0
6 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 5 1 0 0 0 0
M END
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3-氯-1,2-苯并异恶唑 MDL: MFCD03407314
3-氯-1,2-苯并异恶唑 InChIKey: INWUFXPCLZRSBH-UHFFFAOYSA-N
3-氯-1,2-苯并异恶唑 Inchi: 1S/C7H4ClNO/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
3-氯-1,2-苯并异恶唑 SMILES: ClC1C2=C([H])C([H])=C([H])C([H])=C2ON=1