Chem 25 Dimethyl Benzyl Chloride Bcipl

Compound 19
  CheckMol                        TMF02:r0:m0
MF=C9H11Cl MW=154.64
 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
    1.2951    0.7604   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8854    0.7961   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5784   -1.4733   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1805    0.0594   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8735    2.3170   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8735   -2.2100   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1686   -1.4377   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8616   -3.7071   -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
  4  7  1  0  0  0  0
  5  8 02  0  1  0  0
  6  9 02  0  1  0  0
  8 10  1  0  0  0  0
  8  9 01  0  1  0  0
M  END

2,5-Dimethyl Benzyl Chloride

₹ 0.00 0.00

Chemical Name - 2,5-Dimethyl Benzyl Chloride
Mol Weight - 154.639
Smiles - Cc1cc(CCl)c(C)cc1
InChI - PECXPZGFZFGDRD-UHFFFAOYSA-N
InChIKey - InChI=1S/C9H11Cl/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3

Property Name	Property Value
Mol Name	2,5-Dimethyl Benzyl Chloride
Molweight	154.639
Monoisotopic Mass	154.054927
Clogp	2.8815
Clogs	-3.422
Total Surface Area	126.96
Druglikeness	-2.3798
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.26123
Molecular Complexity	0.67346
Fragments	1
Non H Atoms	10
Non Ch Atoms	1
Electronegative Atoms	1
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	3
Smiles	Cc1cc(CCl)c(C)cc1
InChIKey	InChI=1S/C9H11Cl/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3
InChI	PECXPZGFZFGDRD-UHFFFAOYSA-N

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2,5-Dimethyl Benzyl Chloride