0438-0349 Screening compound: 1,3-dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene

0438-0349 Screening compound: 1,3-dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene
0438-0349 Screening compound: 1,3-dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0438-0349
1,3-dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)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

0438-0349

Molecular Formula

C13H6F3N3O7 (C13 H6 F3 N3 O7)

Compound Name

1,3-dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene

IUPAC name

13-dinitro-2-(4-nitrophenoxy)-5-(trifluoromethyl)benzene

SMILES

[O-][N+](c(cc1)ccc1Oc(c([N+]([O-])=O)cc(C(F)(F)F)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C13H6F3N3O7/c14-13(15,16)7-5-10(18(22)23)12(11(6-7)19(24)25)26-9-3-1-8(2-4-9)17(20)21/h1-6H

InChI Key

MJAYOPJXLSWVOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.2

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.776

Distribution Coefficient, logD

3.776

Water Solubility, LogSw

-4.28

Polar Surface Area

106.702

Acid Dissociation Constant (pKa)

14.00

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 0438-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0438-0349?
Check Price and Availability of 0438-0349, 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 0438-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0438-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0438-0349
  • 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 0438-0349 available by request