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CAS 603-12-3 2,6-DINITROBENZOIC ACID molecular structure lightbox
CAS RN: 603-12-3

2,6-DINITROBENZOIC ACID

  • Product code: SSC-168858
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 603-12-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

603-12-3 / 2,6-dinitrobenzoic acid

Standard CAS: 603-12-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
603-12-3
Multi CAS
Yes
Molecular Formula
C7H4N2O6
Molecular Weight
212.120000
Exact Mass
212.006936
InChI
InChI=1S/C7H4N2O6/c10-7(11)6-4(8(12)13)2-1-3-5(6)9(14)15/h1-3H,(H,10,11)
InChIKey
HKKWSIQQYJTJLW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.71
TPSA
123.58

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
0.8
Consensus LogP
1.02
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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