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CAS 352530-22-4 4-Fluoro-3-nitrophenylboronic acid molecular structure lightbox
CAS RN: 352530-22-4

4-Fluoro-3-nitrophenylboronic acid

  • Product code: SSC-142188
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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: 5g
  • 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 352530-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

352530-22-4 / (4-fluoro-3-nitrophenyl)boronic acid

Standard CAS: 352530-22-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
352530-22-4
Multi CAS
Yes
Molecular Formula
BC6FH5NO4
Molecular Weight
184.920000
Exact Mass
185.029566
InChI
InChI=1S/C6H5BFNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H
InChIKey
JDPKQZFQCPEJNH-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
42.88
TPSA
83.6

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.52
XLogP3
-0.59
Consensus LogP
-0.57
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.65
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.62
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.26

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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