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CAS 2106-49-2 3-CHLORO-2-FLUORONITROBENZENE molecular structure lightbox
CAS RN: 2106-49-2

3-CHLORO-2-FLUORONITROBENZENE

  • Product code: SSC-100341
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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: 5g, 10g, 25g, 100g
  • Available purity: ≥98%
  • 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 2106-49-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Hong Kong Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry

2106-49-2 / 1-chloro-2-fluoro-3-nitrobenzene

Standard CAS: 2106-49-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2106-49-2
Multi CAS
No
Molecular Formula
C6H3ClFNO2
Molecular Weight
175.540000
Exact Mass
174.983634
SMILES
C1=CC(=C(C(=C1)Cl)F)[N+](=O)[O-]
InChI
InChI=1S/C6H3ClFNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey
RBAHXNSORRGCQA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.06
TPSA
43.14

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2.5
Consensus LogP
2.33
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.1

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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