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CAS 2105-96-6 4-Fluoro-3-nitrophenol molecular structure lightbox
CAS RN: 2105-96-6

4-Fluoro-3-nitrophenol

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251004 100g In stock Shanghai Inquiry
Batchno.20260411 10g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260501 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260209 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251217 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250828 500g In stock Shanghai Inquiry
Batchno.20251121 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-100245
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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, 5g, 10g, 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 2105-96-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

2105-96-6 / 4-fluoro-3-nitrophenol

Standard CAS: 2105-96-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2105-96-6
Multi CAS
No
Molecular Formula
C6H4FNO3
Molecular Weight
157.100000
Exact Mass
157.017521
SMILES
C1=CC(=C(C=C1O)[N+](=O)[O-])F
InChI
InChI=1S/C6H4FNO3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H
InChIKey
JSRMPTJZAJUPGZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.72
TPSA
63.37

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
1.4
Consensus LogP
1.37
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
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)
-2.66

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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