Chem 4 Methoxy Benzyl Chloride Bcipl

Compound 26
  CheckMol                        TMF02:r0:m0
MF=C8H9ClO MW=156.61
 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    1.5174   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    2.2761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2685    3.7935   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5725    1.5411   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5606    4.5523   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8647    2.2998   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8528    3.8054   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1450    4.5641   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4372    3.8291   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7  8 01  0  1  0  0
M  END

4-Methoxy Benzyl Chloride

₹ 0.00 0.00

Chemical Name - 4-Methoxy Benzyl Chloride
Mol Weight - 156.611
Smiles - COc1ccc(CCl)cc1
InChI - MOHYOXXOKFQHDC-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3

Property Name	Property Value
Mol Name	4-Methoxy Benzyl Chloride
Molweight	156.611
Monoisotopic Mass	156.034192
Clogp	2.1237
Clogs	-2.752
H Acceptors	1
Total Surface Area	124.7
Relative Psa	0.080192
Polar Surface Area	9.23
Druglikeness	-2.0283
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Shape Index	0.8
Molecular Flexibility	0.38452
Molecular Complexity	0.57807
Fragments	1
Non H Atoms	10
Non Ch Atoms	2
Electronegative Atoms	2
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Symmetric Atoms	2
Smiles	COc1ccc(CCl)cc1
InChIKey	InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
InChI	MOHYOXXOKFQHDC-UHFFFAOYSA-N

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4-Methoxy Benzyl Chloride