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CAS 84211-30-3 3,4-Dihydroxy-5-Nitrobenzoic Acid molecular structure lightbox
CAS RN: 84211-30-3

3,4-Dihydroxy-5-Nitrobenzoic Acid

  • Product code: SSC-191768
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 84211-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

84211-30-3 / 3,4-dihydroxy-5-nitrobenzoic acid

Standard CAS: 84211-30-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84211-30-3
Multi CAS
Yes
Molecular Formula
C7H5NO6
Molecular Weight
199.120000
Exact Mass
199.011687
InChI
InChI=1S/C7H5NO6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)
InChIKey
HDPSONAKHMNQPA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
3
Molar refractivity
43.39
TPSA
120.9

LogP / Solubility

WLOGP
0.7
MLOGP
0.62
XLogP3
1.4
Consensus LogP
0.91
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.43

Drug-likeness / Medicinal Chemistry

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

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