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CAS 889939-22-4 4-Bromo-3-fluoro-2-nitrophenol molecular structure lightbox
CAS RN: 889939-22-4

4-Bromo-3-fluoro-2-nitrophenol

  • Product code: SSC-200722
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 889939-22-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shenzhen Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
1g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

889939-22-4 / 4-bromo-3-fluoro-2-nitrophenol

Standard CAS: 889939-22-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
889939-22-4
Multi CAS
No
Molecular Formula
BC6H3NO3Rf
Molecular Weight
235.990000
Exact Mass
234.928030
InChI
InChI=1S/C6H3BrFNO3/c7-3-1-2-4(10)6(5(3)8)9(11)12/h1-2,10H
InChIKey
VQSACDGRYKNYRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.42
TPSA
63.37

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.7
Consensus LogP
2.28
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
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)
-2.6

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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