Software for chemicals, Pharmaceutical & Biotech Industry

Compound 15
  CheckMol                        TMF02:r0:m0
MF=C6H4N2O4 MW=168.11
 12 12  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4976   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -2.2345   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2836   -2.2464   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5792   -1.4857   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2718   -3.7439   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8747   -2.2345   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5673   -4.4808   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1702   -1.4738   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8628   -3.7321   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4657   -2.2107   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1583    0.0475   -0.0000 O   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
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 10 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  CHG  1   9   1
M  CHG  1  12  -1
M  END

Meta Dinitro Benzene

₹ 0.00 0.00

Chemical Name - Meta Dinitro Benzene
Mol Weight - 168.108
Smiles - [O-][N+](c1cccc([N+]([O-])=O)c1)=O

Property Name	Property Value
Mol Name	Meta Dinitro Benzene
Molweight	168.108
Monoisotopic Mass	168.017108
Clogp	-0.1836
Clogs	-2.536
H Acceptors	6
Total Surface Area	120.6
Relative Psa	0.50448
Polar Surface Area	91.64
Druglikeness	-7.74
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Shape Index	0.58333
Molecular Flexibility	0.48392
Molecular Complexity	0.64864
Fragments	1
Non H Atoms	12
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Symmetric Atoms	5
Acidic Oxygens	2
Smiles	[O-][N+](c1cccc([N+]([O-])=O)c1)=O
InChIKey	InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
InChI	WDCYWAQPCXBPJA-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 - Meta Dinitro Benzene
2 - Meta Dinitro Benzene

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

Meta Dinitro Benzene