Chem 24 Dichloro Benzyl Alcohol Bcipl

Compound 24
  CheckMol                        TMF02:r0:m0
MF=C7H6Cl2O MW=177.03
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4944   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3283   -2.2416   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2809   -2.2297   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3402   -3.7359   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6448   -1.4825   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -3.7241   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0474   -4.4713   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9613   -2.2178   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5618   -4.4594   -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 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

2,4-Dichloro Benzyl Alcohol

₹ 0.00 0.00

Chemical Name - 2,4-Dichloro Benzyl Alcohol
Mol Weight - 177.03
Smiles - OCc(ccc(Cl)c1)c1Cl
InChI - DBHODFSFBXJZNY-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2

Property Name	Property Value
Mol Name	2,4-Dichloro Benzyl Alcohol
Molweight	177.03
Monoisotopic Mass	175.979569
Clogp	2.2743
Clogs	-2.972
H Acceptors	1
H Donors	1
Total Surface Area	124.21
Relative Psa	0.10547
Polar Surface Area	20.23
Druglikeness	-2.0434
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.26123
Molecular Complexity	0.67346
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Smiles	OCc(ccc(Cl)c1)c1Cl
InChIKey	InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChI	DBHODFSFBXJZNY-UHFFFAOYSA-N

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2,4-Dichloro Benzyl Alcohol