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CAS 448-38-4 4-chloro-2-nitro-1-(trifluoroMethoxy)benzene molecular structure lightbox
CAS RN: 448-38-4

4-chloro-2-nitro-1-(trifluoroMethoxy)benzene

  • Product code: SSC-152763
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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, 5g, 10g, 0.25g
  • Available purity: ≥95%
  • 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 448-38-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
10g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

448-38-4 / 4-chloro-2-nitro-1-(trifluoromethoxy)benzene

Standard CAS: 448-38-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
448-38-4
Multi CAS
No
Molecular Formula
C7H3CLF3NO3
Molecular Weight
241.550000
Exact Mass
240.975355
InChI
InChI=1S/C7H3ClF3NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H
InChIKey
HJUSPAGBVDNGSB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.79
TPSA
52.37

LogP / Solubility

WLOGP
3.15
MLOGP
2.77
XLogP3
3.5
Consensus LogP
3.14
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.96

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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