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CAS 90151-04-5 Benzaldehyde, 4-hydroxy-2-nitro- molecular structure lightbox
CAS RN: 90151-04-5

Benzaldehyde, 4-hydroxy-2-nitro-

  • Product code: SSC-202644
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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 90151-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

90151-04-5 / 4-hydroxy-2-nitrobenzaldehyde

Standard CAS: 90151-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90151-04-5
Multi CAS
No
Molecular Formula
C7H5NO4
Molecular Weight
167.120000
Exact Mass
167.021858
InChI
InChI=1S/C7H5NO4/c9-4-5-1-2-6(10)3-7(5)8(11)12/h1-4,10H
InChIKey
PTVFUHTYJLKEDZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.15
TPSA
80.44

LogP / Solubility

WLOGP
1.11
MLOGP
0.98
XLogP3
0.9
Consensus LogP
1
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.91
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)
-2.95

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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