0868-0378 Screening compound: 2-methyl-1-nitro-4-(4-nitrophenoxy)benzene

0868-0378 Screening compound: 2-methyl-1-nitro-4-(4-nitrophenoxy)benzene
0868-0378 Screening compound: 2-methyl-1-nitro-4-(4-nitrophenoxy)benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0868-0378
2-methyl-1-nitro-4-(4-nitrophenoxy)benzene

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

0868-0378

Molecular Formula

C13H10N2O5 (C13 H10 N2 O5)

Compound Name

2-methyl-1-nitro-4-(4-nitrophenoxy)benzene

IUPAC name

2-methyl-1-nitro-4-(4-nitrophenoxy)benzene

SMILES

Cc(cc(cc1)Oc(cc2)ccc2[N+]([O-])=O)c1[N+]([O-])=O

InChI

InChI=1S/C13H10N2O5/c1-9-8-12(6-7-13(9)15(18)19)20-11-4-2-10(3-5-11)14(16)17/h2-8H,1H3

InChI Key

GKFDTYGSNKCQHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.23

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.217

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-4.52

Polar Surface Area

73.448

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

References: we are preparing a list of scientific research reports with 0868-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0868-0378?
Check Price and Availability of 0868-0378, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0868-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0868-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0868-0378
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 0868-0378 available by request