KEGG   COMPOUND: C14270
Entry
C14270                      Compound                               
Name
3-Chlorophenol
Formula
C6H5ClO
Exact mass
128.0029
Mol weight
128.5563
Structure
Comment
2-Chlorophenol [CPD:C14219]
4-Chlorophenol [CPD:C02124]
Other DBs
CAS: 108-43-0
PubChem: 17395270
ChEBI: 38855
PDB-CCD: 3CH[PDBj]
NIKKAJI: J368I
KCF data

ATOM        8
            1   C8x C    26.2202  -20.9018
            2   C8x C    27.4084  -21.6008
            3   C8x C    26.2202  -19.5039
            4   C8y C    28.6667  -20.9018
            5   C8y C    27.4084  -18.8048
            6   C8x C    28.6667  -19.5039
            7   O1a O    27.4084  -17.4069
            8   X   Cl   29.8478  -21.5965
BOND        8
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     5   7 1
            8     4   8 1

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Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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