KEGG   COMPOUND: C14462
Entry
C14462                      Compound                               
Name
3,4-Dichlorophenol
Formula
C6H4Cl2O
Exact mass
161.9639
Mol weight
163.0014
Structure
Other DBs
CAS: 95-77-2
PubChem: 17395462
ChEBI: 34323
PDB-CCD: 5JD[PDBj]
NIKKAJI: J3.571H
LinkDB
KCF data

ATOM        9
            1   C8x C    26.1545  -18.8695
            2   C8x C    26.1545  -20.2671
            3   C8y C    27.3648  -20.9660
            4   C8y C    28.5753  -20.2671
            5   C8x C    28.5753  -18.8695
            6   C8y C    27.3648  -18.1707
            7   O1a O    27.3648  -16.7732
            8   X   Cl   29.8043  -20.9769
            9   X   Cl   27.3648  -22.3634
BOND        9
            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     6   7 1
            8     4   8 1
            9     3   9 1

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