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CAS 428871-64-1 2-Amino-5-chloro-4-fluoronitrobenzene molecular structure lightbox
CAS RN: 428871-64-1

2-Amino-5-chloro-4-fluoronitrobenzene

  • Product code: SSC-151191
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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, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 428871-64-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 2 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

428871-64-1 / 4-chloro-5-fluoro-2-nitroaniline

Standard CAS: 428871-64-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
428871-64-1
Multi CAS
No
Molecular Formula
C6H4CLFN2O2
Molecular Weight
190.560000
Exact Mass
189.994533
InChI
InChI=1S/C6H4ClFN2O2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H,9H2
InChIKey
IVUBVUIBVDTNAT-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
42.48
TPSA
69.16

LogP / Solubility

WLOGP
1.97
MLOGP
1.73
XLogP3
2.3
Consensus LogP
2
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
Class (SILICOS-IT)
Moderately 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)
-2.48

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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