Chem Ethyl 2 Bromothiazole 4 Carboxylate Ncc

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Compound 88
  CheckMol                        TMF02:r0:m0
MF=C6H6BrNO2S MW=236.08
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6224    1.3739   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.1057    2.6774   -0.0000 S   0 00  0  0  0  0  0  0  0  0  0  0
   -2.0902    1.6910   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.9042    3.7929   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2546    3.1823   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.5581    3.9338   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5698    5.4369   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8615    3.1940   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1650    3.9456   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4684    3.2058   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 01  0  1  0  0
  2  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5  6 02  0  1  0  0
M  END

Ethyl 2-bromothiazole-4-carboxylate

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Chemical Name - Ethyl 2-bromothiazole-4-carboxylate
Mol Weight - 236.089
Smiles - CCOC(c1csc(Br)n1)=O
InChI - CNHISCQPKKGDPO-UHFFFAOYSA-N
InChIKey - InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3

Property Name	Property Value
Mol Name	Ethyl 2-bromothiazole-4-carboxylate
Molweight	236.089
Monoisotopic Mass	234.93026
Clogp	2.0829
Clogs	-2.517
H Acceptors	3
Total Surface Area	140.36
Relative Psa	0.38736
Polar Surface Area	67.43
Druglikeness	-3.3945
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.72727
Molecular Flexibility	0.36324
Molecular Complexity	0.71107
Fragments	1
Non H Atoms	11
Non Ch Atoms	5
Electronegative Atoms	5
Rotatable Bonds	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	3
Aromatic Nitrogens	1
Smiles	CCOC(c1csc(Br)n1)=O
InChIKey	InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChI	CNHISCQPKKGDPO-UHFFFAOYSA-N

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1 - Ethyl 2-bromothiazole-4-carboxylate
2 - Ethyl 2-bromothiazole-4-carboxylate

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ACRIDINE ORANGE FOR MICROSCOPICAL STAINING-10GM - 10gm

7-AZAINDOLE FOR SYNTHESIS 98% - 1gm

Ethyl 2-bromothiazole-4-carboxylate