KEGG   COMPOUND: C14219
Entry
C14219                      Compound                               
Name
2-Chlorophenol;
2-Chloro-1-hydroxybenzene
Formula
C6H5ClO
Exact mass
128.0029
Mol weight
128.5563
Structure
Comment
3-Chlorophenol [CPD:C14270]
4-Chlorophenol [CPD:C02124]
Other DBs
CAS: 95-57-8
PubChem: 7847029
ChEBI: 47083
PDB-CCD: 2CH[PDBj]
NIKKAJI: J3.566A
LinkDB
KCF data

ATOM        8
            1   C8x C    26.2049  -20.9573
            2   C8x C    27.3922  -21.6558
            3   C8x C    26.2049  -19.5604
            4   C8x C    28.6495  -20.9573
            5   C8y C    27.3922  -18.8619
            6   C8y C    28.6495  -19.5604
            7   O1a O    27.3922  -17.4650
            8   X   Cl   29.8369  -18.8619
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     6   8 1

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