KEGG   COMPOUND: C02791
Entry
C02791                      Compound                               

Name
3,4-Dichloroaniline
Formula
C6H5Cl2N
Exact mass
160.9799
Mol weight
162.0166
Structure
Reaction
Enzyme
Other DBs
CAS: 95-76-1
PubChem: 5742
ChEBI: 16767
ChEMBL: CHEMBL1319813
PDB-CCD: LV5[PDBj]
3DMET: B00501
NIKKAJI: J43.172I
KCF data

ATOM        9
            1   C8y C    19.0067  -15.4537
            2   C8y C    17.7849  -16.1639
            3   C8x C    19.0067  -14.0464
            4   X   Cl   20.2158  -16.1511
            5   C8x C    16.5822  -15.4537
            6   X   Cl   17.7849  -17.5584
            7   C8y C    17.7849  -13.3556
            8   C8x C    16.5822  -14.0464
            9   N1a N    17.7849  -11.9609
BOND        9
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     5   8 1
            8     7   9 1
            9     7   8 2

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