KEGG   COMPOUND: C14302Help
Entry
C14302                      Compound                               

Name
Dinoseb;
2,4-Dinitro-6-(1-methylpropyl)phenol
Formula
C10H12N2O5
Exact mass
240.0746
Mol weight
240.2127
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Obsolete pesticides
  Herbicides
   Nitrophenol herbicides
    C14302  Dinoseb
BRITE hierarchy
Other DBs
CAS: 88-85-7
PubChem: 17395302
ChEBI: 34719
ChEMBL: CHEMBL1892987
NIKKAJI: J3.909H
LinkDB All DBs
KCF data Show

ATOM        17
            1   C8x C    27.1704  -17.6490
            2   C8x C    28.3610  -19.7501
            3   C8y C    28.3610  -16.9487
            4   C8y C    27.1704  -19.0497
            5   C8y C    29.5516  -19.0497
            6   C8y C    29.5516  -17.6490
            7   C1c C    28.3610  -15.5480
            8   N2b N    25.9098  -19.7501 #+
            9   N2b N    30.8122  -19.7501 #+
            10  O3a O    25.9098  -21.1507
            11  O3a O    30.8122  -21.1507
            12  O3a O    24.7192  -19.0497 #-
            13  O3a O    32.2828  -19.0497 #-
            14  O1a O    30.8122  -16.9487
            15  C1a C    29.5740  -14.8477
            16  C1b C    27.1480  -14.8477
            17  C1a C    25.9519  -15.5384
BOND        17
            1     1   3 2
            2     1   4 1
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   6 2
            9     5   9 1
            10    6  14 1
            11    8  10 2
            12    8  12 1
            13    9  11 2
            14    9  13 1
            15    7  15 1
            16    7  16 1
            17   16  17 1

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