Chem 5 Chloro 2 Methoxy Benzoic Acid Methyl Ester

Compound 22
  CheckMol                        TMF02:r0:m0
MF=C9H9ClO3 MW=200.62
 13 13  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -0.7371   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2839   -2.2350   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5917    0.0357   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5798   -2.9721   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8875   -0.7014   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8756   -2.1994   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5679   -4.4700   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1715   -2.9483   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2483   -5.2190   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8637   -5.2190   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4673   -2.1875   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1596   -4.4581   -0.0000 C   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 01  0  1  0  0
  4  6 02  0  1  0  0
  5  7 02  0  1  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

5-Chloro 2-Methoxy Benzoic Acid Methyl Ester

₹ 0.00 0.00

Chemical Name - 5-Chloro 2-Methoxy Benzoic Acid Methyl Ester
Mol Weight - 200.62
Smiles - COC(c(cc(cc1)Cl)c1OC)=O

Property Name	Property Value
Mol Name	5-Chloro 2-Methoxy Benzoic Acid Methyl Ester
Molweight	200.62
Monoisotopic Mass	200.024022
Clogp	2.1086
Clogs	-2.511
H Acceptors	3
Total Surface Area	150.95
Relative Psa	0.21888
Polar Surface Area	35.53
Druglikeness	-3.7766
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.53846
Molecular Flexibility	0.42359
Molecular Complexity	0.72397
Fragments	1
Non H Atoms	13
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	4
Smiles	COC(c(cc(cc1)Cl)c1OC)=O
InChIKey	InChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
InChI	HPTHYBXMNNGQEF-UHFFFAOYSA-N

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5-Chloro 2-Methoxy Benzoic Acid Methyl Ester