Chem 246 Trichloropyrimidine 5 Carboxaldehyde Ncc

Compound 86
  CheckMol                        TMF02:r0:m0
MF=C5HCl3N2O MW=211.43
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3035    0.7516   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3152    2.2547   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6069    0.0235   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6187    3.0062   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9104    0.7750   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6304    4.5093   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9222    2.2781   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2139    0.0470   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2256    3.0297   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5291    2.3016   -0.0000 O   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  1  0  0  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
  6  8 01  0  1  0  0
M  END

2,4,6-trichloropyrimidine-5-carboxaldehyde

₹ 0.00 0.00

Chemical Name - 2,4,6-trichloropyrimidine-5-carboxaldehyde
Mol Weight - 211.435
Smiles - O=Cc(c(Cl)nc(Cl)n1)c1Cl
InChI - KVJIRFGNHAAUNQ-UHFFFAOYSA-N
InChIKey - InChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H

Property Name	Property Value
Mol Name	2,4,6-trichloropyrimidine-5-carboxaldehyde
Molweight	211.435
Monoisotopic Mass	209.915444
Clogp	2.2846
Clogs	-2.439
H Acceptors	3
Total Surface Area	136.58
Relative Psa	0.25611
Polar Surface Area	42.85
Druglikeness	-3.7239
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.28629
Molecular Complexity	0.72218
Fragments	1
Non H Atoms	11
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Symmetric Atoms	3
Aromatic Nitrogens	2
Smiles	O=Cc(c(Cl)nc(Cl)n1)c1Cl
InChIKey	InChI=1S/C5HCl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h1H
InChI	KVJIRFGNHAAUNQ-UHFFFAOYSA-N

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1 - 2,4,6-trichloropyrimidine-5-carboxaldehyde
2 - 2,4,6-trichloropyrimidine-5-carboxaldehyde

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2,4,6-trichloropyrimidine-5-carboxaldehyde