Chem Dimethyl 5 Nitroisophthalate

Compound 40
  CheckMol                        TMF02:r0:m0
MF=C10H9NO6 MW=239.18
 17 17  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5058   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2705    2.2587   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175    2.2587   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3293    3.7644   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6233    1.5293   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6351    4.5173   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9291    2.2822   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6469    6.0231   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9409    3.7880   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2349    1.5528   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3646    6.7760   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9526    6.7760   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2467    0.0706   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5407    2.3057   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2584    6.0348   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8465    1.5764   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9  1  0  0  0  0
  7 10 02  0  1  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
  8 10 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  END

Dimethyl-5-Nitroisophthalate

₹ 0.00 0.00

Chemical Name - Dimethyl-5-Nitroisophthalate
Mol Weight - 239.182
Smiles - COC(c1cc([N+]([O-])=O)cc(C(OC)=O)c1)=O

Property Name	Property Value
Mol Name	Dimethyl-5-Nitroisophthalate
Molweight	239.182
Monoisotopic Mass	239.042989
Clogp	0.564
Clogs	-2.358
H Acceptors	7
Total Surface Area	176.95
Relative Psa	0.43233
Polar Surface Area	98.42
Druglikeness	-8.981
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.52941
Molecular Flexibility	0.49941
Molecular Complexity	0.68861
Fragments	1
Non H Atoms	17
Non Ch Atoms	7
Electronegative Atoms	7
Rotatable Bonds	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	5
Symmetric Atoms	6
Acidic Oxygens	1
Smiles	COC(c1cc([N+]([O-])=O)cc(C(OC)=O)c1)=O
InChIKey	InChI=1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3
InChI	GGTSJKFPGKFLCZ-UHFFFAOYSA-N

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile , trade leads and products are user generated content.

Molecule Properties are generated theoretically any objection please contact us

Shipping

Usually delivered in 3-4 days

Enter pincode for exact delivery dates/charges

Credit / Debit Card Payment

We accept all major credit / debit card for payment, you can also pay through online banking.

Cash On Delivery

If Available. Select Cash on Delivery (CoD) payment option while placing the order and later, pay in cash at the time of actual delivery of product. No advance payment needed.

Click to Load Molecule
1 - Dimethyl-5-Nitroisophthalate
2 - Dimethyl-5-Nitroisophthalate

Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Dimethyl-5-Nitroisophthalate