2450 -OEChem-03282405022D 15 14 0 0 0 0 0 0 0999 V2000 4.7690 -1.1830 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3170 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1350 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1830 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.2919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 0.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 4 -1 6 1 M END > 2450 > 1 > 107 > 4 > 2 > 2 > AAADcYBCOAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgBECAABiAihgAIAAAAQQgABAAAAAwAAAAAAAAAgAAAAAAACEAAAAAAAQAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-bromo-2-nitro-propane-1,3-diol > 2-bromo-2-nitropropane-1,3-diol > 2-bromo-2-nitropropane-1,3-diol > 2-bromo-2-nitropropane-1,3-diol > 2-bromanyl-2-nitro-propane-1,3-diol > 2-bromo-2-nitro-propane-1,3-diol > InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2 > LVDKZNITIUWNER-UHFFFAOYSA-N > -0.6 > 198.94802 > C3H6BrNO4 > 199.99 > C(C(CO)([N+](=O)[O-])Br)O > C(C(CO)([N+](=O)[O-])Br)O > 86.3 > 198.94802 > 0 > 9 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 $$$$