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CAS 3383-72-0 1-(2-Chloroethoxy)-4-nitrobenzene molecular structure lightbox
CAS RN: 3383-72-0

1-(2-Chloroethoxy)-4-nitrobenzene

  • Product code: SSC-139977
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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, 10g, 25g
  • 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 3383-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Hong Kong Inquiry
10g ≥97% 0 Out of Stock Hong Kong Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

3383-72-0 / 1-(2-chloroethoxy)-4-nitrobenzene

Standard CAS: 3383-72-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3383-72-0
Multi CAS
Yes
Molecular Formula
C8H8CLNO3
Molecular Weight
201.610000
Exact Mass
201.019271
InChI
InChI=1S/C8H8ClNO3/c9-5-6-13-8-3-1-7(2-4-8)10(11)12/h1-4H,5-6H2
InChIKey
OBCFOPGCTNULTG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
49.31
TPSA
52.37

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
2.8
Consensus LogP
2.32
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
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)
-2.38

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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