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CAS 74230-08-3 4-hydroxy-2-nitrobenzoic acid molecular structure lightbox
CAS RN: 74230-08-3

4-hydroxy-2-nitrobenzoic acid

  • Product code: SSC-183691
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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: 0.25g
  • 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 74230-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

74230-08-3 / 4-hydroxy-2-nitrobenzoic acid

Standard CAS: 74230-08-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74230-08-3
Multi CAS
No
Molecular Formula
C7H5NO5
Molecular Weight
183.120000
Exact Mass
183.016772
InChI
InChI=1S/C7H5NO5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H,(H,10,11)
InChIKey
FNDZIIJCKXGZJA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.72
TPSA
100.67

LogP / Solubility

WLOGP
1
MLOGP
0.88
XLogP3
1.1
Consensus LogP
0.99
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

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