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CAS 913835-80-0 2-BROMO-6-FLUOROPHENYLBORONIC ACID molecular structure lightbox
CAS RN: 913835-80-0

2-BROMO-6-FLUOROPHENYLBORONIC ACID

Product Availability

Choose a grade to view its available package options.

7 package records4 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260122 10g In stock Inquiry
Batchno.20251209 1g In stock Inquiry
Batchno.20250109 25g Out of stock Inquiry
Batchno.20260416 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250822 5g / 10g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250829 5g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250224 5g / 25g / 100g Out of stock 8-10 business days Inquiry
  • Product code: SSC-204392
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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: 100g
  • 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 913835-80-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Beijing Inquiry

913835-80-0 / (2-bromo-6-fluorophenyl)boronic acid

Standard CAS: 913835-80-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
913835-80-0
Multi CAS
Yes
Molecular Formula
B2C6H5O2Rf
Molecular Weight
218.820000
Exact Mass
217.955000
InChI
InChI=1S/C6H5BBrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChIKey
MVSHYHSMIRBRGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.93
TPSA
40.46

LogP / Solubility

WLOGP
0.27
MLOGP
0.24
XLogP3
0.27
Consensus LogP
0.26
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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