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CAS 20734-71-8 2-methoxy-3-nitrophenol molecular structure lightbox
CAS RN: 20734-71-8

2-methoxy-3-nitrophenol

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-097629
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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: ≥97%
  • 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 20734-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Beijing Inquiry

20734-71-8 / 2-methoxy-3-nitrophenol

Standard CAS: 20734-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20734-71-8
Multi CAS
No
Molecular Formula
C7H7NO4
Molecular Weight
169.130000
Exact Mass
169.037508
SMILES
COC1=C(C=CC=C1O)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO4/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4,9H,1H3
InChIKey
JBDBITFUVSELQN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.31
TPSA
72.6

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

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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