KEGG   COMPOUND: C14397
Entry
C14397                      Compound                               
Name
Dinitrochlorobenzene;
1-Chloro-2,4-dinitrobenzene
Formula
C6H3ClN2O4
Exact mass
201.9781
Mol weight
202.552
Structure
Other DBs
CAS: 97-00-7
PubChem: 17395397
ChEBI: 34718
NIKKAJI: J3.974H
LinkDB
KCF data

ATOM        13
            1   C8y C    22.1603  -15.1210
            2   C8y C    20.9395  -14.4206
            3   C8x C    19.7226  -15.1278
            4   C8x C    19.7266  -16.5353
            5   C8y C    20.9475  -17.2355
            6   C8x C    22.1644  -16.5283
            7   N2b N    23.3501  -14.4294 #+
            8   N2b N    20.9512  -18.6205 #+
            9   X   Cl   20.9353  -13.0234
            10  O3a O    23.3458  -13.0359
            11  O3a O    24.5689  -15.1283 #-
            12  O3a O    19.7423  -19.3227
            13  O3a O    22.1661  -19.3175 #-
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     2   9 1
            10    7  10 2
            11    7  11 1
            12    8  12 2
            13    8  13 1

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