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CAS 22510-08-3 2-FLUORO-5-NITROPHENOL molecular structure lightbox
CAS RN: 22510-08-3

2-FLUORO-5-NITROPHENOL

  • Product code: SSC-110084
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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 22510-08-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

22510-08-3 / 2-fluoro-5-nitrophenol

Standard CAS: 22510-08-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22510-08-3
Multi CAS
No
Molecular Formula
C6H4FNO3
Molecular Weight
157.100000
Exact Mass
157.017521
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])O)F
InChI
InChI=1S/C6H4FNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
InChIKey
WFRLFZAMCVAQLN-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
2.1
Consensus LogP
1.6
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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