Chem 4 Bromo Phenethyl Bromide Ncc

Compound 63
  CheckMol                        TMF02:r0:m0
MF=C8H8Br2 MW=263.96
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3063   -0.7414   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6127    0.0118   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3181   -2.2243   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9190   -0.7297   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6244   -2.9657   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9308   -2.2125   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2371   -2.9540   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5435   -2.2008   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8498   -2.9422   -0.0000 Br  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6  7 01  0  1  0  0
M  END

4-bromo phenethyl bromide

₹ 0.00 0.00

Chemical Name - 4-bromo phenethyl bromide
Mol Weight - 263.96
Smiles - BrCCc(cc1)ccc1Br
InChI - APTDRDYSJZQPPI-UHFFFAOYSA-N
InChIKey - InChI=1S/C8H8Br2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2

Property Name	Property Value
Mol Name	4-bromo phenethyl bromide
Molweight	263.96
Monoisotopic Mass	261.899272
Clogp	3.5046
Clogs	-3.496
Total Surface Area	138.04
Druglikeness	-11.63
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Shape Index	0.8
Molecular Flexibility	0.43607
Molecular Complexity	0.58889
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	2
Symmetric Atoms	2
Smiles	BrCCc(cc1)ccc1Br
InChIKey	InChI=1S/C8H8Br2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6H2
InChI	APTDRDYSJZQPPI-UHFFFAOYSA-N

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4-bromo phenethyl bromide