KEGG   COMPOUND: C14331
Entry
C14331                      Compound                               
Name
4-Chloro-m-cresol;
4-Chloro-3-methylphenol;
Chlorocresol
Formula
C7H7ClO
Exact mass
142.0185
Mol weight
142.5829
Structure
Remark
Same as: D03468
Other DBs
CAS: 59-50-7
PubChem: 17395331
ChEBI: 34395
PDB-CCD: 43M[PDBj]
NIKKAJI: J4.604C
KCF data

ATOM        9
            1   C8x C    21.5988  -14.5080
            2   C8y C    20.3870  -13.8117
            3   C8x C    19.1780  -14.5131
            4   C8x C    19.1809  -15.9107
            5   C8y C    20.3928  -16.6069
            6   C8y C    21.6017  -15.9056
            7   C1a C    22.8133  -16.6018
            8   X   Cl   20.3959  -18.0262
            9   O1a O    20.3841  -12.4141
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     5   8 1
            9     2   9 1

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (7)   

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