Marvin 02041116412D 10 10 0 0 0 0 999 V2000 -1.2146 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2146 -0.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 -1.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 -0.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 0.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 1.1963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2143 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6433 -0.0413 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9288 1.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9288 0.3712 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 5 7 2 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 7 10 1 0 0 0 0 8 10 1 0 0 0 0 10 9 2 0 0 0 0 M CHG 2 8 -1 10 1 M END > CHEBI:33098 > 2-nitrotoluene > A mononitrotoluene that is toluene carrying a nitro substituent at position 2. > 3 > ortho-Nitrotoluol; ONT; o-Nitrotoluol; o-nitrotoluene; o-methylnitrobenzene; 2-Nitrotoluol; 2-nitrotoluene; 2-methyl-1-nitrobenzene > 1-methyl-2-nitrobenzene > C7H7NO2 > 137.13600 > 137.04768 > 0 > Cc1ccccc1[N+]([O-])=O > InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3 > PLAZTCDQAHEYBI-UHFFFAOYSA-N > 88-72-2 > 1907580 > 88-72-2 > C19597 > 2-NITROTOLUENE > 88-72-2 > 2-Nitrotoluene > 20582618; 21432561; 23153775; 7944378 $$$$