KEGG   COMPOUND: C11065Help
Entry
C11065                      Compound                               

Name
Nitrofen
Formula
C12H7Cl2NO3
Exact mass
282.9803
Mol weight
284.0949
Structure
Mol fileKCF fileDB search
Brite
Endocrine disrupting compounds [BR:br08006]
 Pesticides and herbicides
  Others
   C11065  Nitrofen
Pesticides [BR:br08007]
 Obsolete pesticides
  Herbicides
   Diphenyl ether herbicides
    C11065  Nitrofen
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C11065  Nitrofen
BRITE hierarchy
Other DBs
CAS: 1836-75-5
PubChem: 13247
ChEBI: 7590
ChEMBL: CHEMBL561004
NIKKAJI: J31.991K
KCF data Show

ATOM        18
            1   C8y C    26.1118  -18.8347
            2   C8x C    26.1118  -20.2237
            3   C8x C    24.8617  -20.9183
            4   C8y C    23.6810  -20.2237
            5   C8x C    23.6810  -18.8347
            6   C8y C    24.8617  -18.1402
            7   C8x C    30.9041  -18.8347
            8   C8y C    30.9041  -20.2237
            9   C8x C    29.6539  -20.9183
            10  C8x C    28.4732  -20.2237
            11  C8y C    28.4732  -18.8347
            12  C8x C    29.6539  -18.1402
            13  O2a O    27.2925  -18.1402
            14  X   Cl   24.8617  -16.7511
            15  X   Cl   22.5003  -20.9183
            16  N2b N    32.0847  -20.9183 #+
            17  O3a O    33.6832  -20.1532 #-
            18  O3a O    32.0847  -22.3073
BOND        19
            1     5   6 2
            2     7   8 2
            3     8   9 1
            4     9  10 2
            5    10  11 1
            6    11  12 2
            7    12   7 1
            8     6   1 1
            9    11  13 1
            10   13   1 1
            11    6  14 1
            12    1   2 2
            13    4  15 1
            14    2   3 1
            15    8  16 1
            16    3   4 2
            17   16  17 1
            18    4   5 1
            19   16  18 2

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