Chem 24 Dichlorobenzoic Acid Molychem

Compound 264
  CheckMol                        TMF02:r0:m0
MF=C7H4Cl2O2 MW=191.01
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118   -1.4927   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3269   -2.2391   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2795   -2.2272   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6419   -1.4809   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3387   -3.7318   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2676   -3.7200   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6537    0.0355   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9569   -2.2154   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5590   -4.4545   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10 02  0  1  0  0
  7 11  1  0  0  0  0
  7 10 01  0  1  0  0
M  END

2,4-Dichlorobenzoic Acid

₹ 0.00 0.00

Chemical Name - 2,4-Dichlorobenzoic Acid
Mol Weight - 191.013
Smiles - OC(c(ccc(Cl)c1)c1Cl)=O

Property Name	Property Value
Mol Name	2,4-Dichlorobenzoic Acid
Molweight	191.013
Monoisotopic Mass	189.958834
Clogp	2.3567
Clogs	-3.101
H Acceptors	2
H Donors	1
Total Surface Area	128.2
Relative Psa	0.2039
Polar Surface Area	37.3
Druglikeness	-1.6821
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Shape Index	0.63636
Molecular Flexibility	0.35822
Molecular Complexity	0.73271
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	1
Acidic Oxygens	1
Smiles	OC(c(ccc(Cl)c1)c1Cl)=O
InChIKey	InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI	ATCRIUVQKHMXSH-UHFFFAOYSA-N

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2,4-Dichlorobenzoic Acid