
 3-Chloro-5-hydroxybenzoic acid

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.7075    1.1942    0.0492 C   0  0  0  0  0
    0.6938    1.1904    0.0298 C   0  0  0  0  0
    1.3909   -0.0235   -0.0168 C   0  0  0  0  0
    0.6837   -1.2242   -0.0436 C   0  0  0  0  0
   -0.7088   -1.2267   -0.0245 C   0  0  0  0  0
   -1.3926   -0.0169    0.0218 C   0  0  0  0  0
   -2.7554   -0.0615    0.0392 O   0  0  0  0  0
    1.5393   -2.7161   -0.1009 Cl  0  0  0  0  0
    1.4802    2.4462    0.0573 C   0  0  0  0  0
    2.6936    2.5267    0.0429 O   0  0  0  0  0
    0.7060    3.5444    0.1015 O   0  0  0  0  0
   -1.2506    2.1340    0.0854 H   0  0  0  0  0
    2.4790   -0.0304   -0.0320 H   0  0  0  0  0
   -1.2631   -2.1610   -0.0454 H   0  0  0  0  0
   -3.1064    0.8445    0.0716 H   0  0  0  0  0
    1.3503    4.2840    0.1152 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 12  1  0  0  0
  2  3  1  0  0  0
  2  9  1  0  0  0
  3  4  2  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  7 15  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
M  END

>  <Chemical Name>
3-Chloro-5-hydroxybenzoic acid

>  <PubChem CID>
13071646

>  <Formula>
C7H5ClO3

>  <Molecular Weight>
172.564000

>  <IUPAC Name>
3-chloro-5-hydroxybenzoic acid

>  <XlogP>
1.800

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=C(C=C(C=C1O)Cl)C(=O)O

>  <Isomeric SMILES>
C1=C(C=C(C=C1O)Cl)C(=O)O

>  <InChI Std. ID>
InChI=1S/C7H5ClO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)

>  <InChI Key>
RJOLIYHZZKAIET-UHFFFAOYSA-N

