8020-1807 Screening compound: 1,3,5-trinitro-2-[(1E)-2-(2,4,6-trinitrophenyl)ethenyl]benzene

8020-1807 Screening compound: 1,3,5-trinitro-2-[(1E)-2-(2,4,6-trinitrophenyl)ethenyl]benzene
8020-1807 Screening compound: 1,3,5-trinitro-2-[(1E)-2-(2,4,6-trinitrophenyl)ethenyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1807
1,3,5-trinitro-2-[(1E)-2-(2,4,6-trinitrophenyl)ethenyl]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

8020-1807

Molecular Formula

C14H6N6O12 (C14 H6 N6 O12)

Compound Name

1,3,5-trinitro-2-[(1E)-2-(2,4,6-trinitrophenyl)ethenyl]benzene

IUPAC name

135-trinitro-2-[(1E)-2-(246-trinitrophenyl)ethenyl]benzene

SMILES

[O-][N+](c1cc([N+]([O-])=O)c(/C=C/c(c([N+]([O-])=O)cc([N+]([O-])=O)c2)c2[N+]([O-])=O)c([N+]([O-])=O)c1)=O

InChI

InChI=1S/C14H6N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h1-6H

InChI Key

YSIBQULRFXITSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00325083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.23

Hydrogen Bond Acceptors Count

24.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

18

Partition Coefficient, logP

3.529

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-3.85

Polar Surface Area

199.052

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8020-1807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1807?
Check Price and Availability of 8020-1807, 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 8020-1807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1807
  • 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 8020-1807 available by request