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CAS 425379-16-4 2-BROMO-3-FLUOROBENZONITRILE molecular structure lightbox
CAS RN: 425379-16-4

2-BROMO-3-FLUOROBENZONITRILE

  • Product code: SSC-150839
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 5g, 0.25g, 25g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 425379-16-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Shanghai Inquiry
10g >97% 2 In Stock Beijing Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Shanghai Inquiry

425379-16-4 / 2-bromo-3-fluorobenzonitrile

Standard CAS: 425379-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
425379-16-4
Multi CAS
No
Molecular Formula
BC7H3NRf
Molecular Weight
200.010000
Exact Mass
198.943290
InChI
InChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChIKey
DBECKESJFGWYFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
38.82
TPSA
23.79

LogP / Solubility

WLOGP
2.46
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.34
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-2.19

Drug-likeness / Medicinal Chemistry

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

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