Marvin 02240911272D 10 10 0 0 0 0 999 V2000 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.4125 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5 6 2 0 0 0 0 2 7 1 0 0 0 0 3 2 1 0 0 0 0 5 4 1 0 0 0 0 4 3 2 0 0 0 0 10 4 1 0 0 0 0 6 1 1 0 0 0 0 1 2 2 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 M CHG 1 9 -1 M END > CHEBI:19984 > 3-chlorobenzoate > A chlorobenzoate that is the conjugate base of 3-chlorobenzoic acid. > 3 > mCl-benzoate anion; m-chlorobenzoate; 3-chlorobenzoic acid, ion(1-) > 3-chlorobenzoate > C7H4ClO2 > 155.55816 > 154.99053 > -1 > [O-]C(=O)c1cccc(Cl)c1 > InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)/p-1 > LULAYUGMBFYYEX-UHFFFAOYSA-M > 3904773 > 16887-60-8 > 3663 > 16887-60-8 > CPD-3486 $$$$