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CAS 60854-81-1 2-Chloro-4-methylsulfonyl-1-nitrobenzene molecular structure lightbox
CAS RN: 60854-81-1

2-Chloro-4-methylsulfonyl-1-nitrobenzene

  • Product code: SSC-169540
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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: 0.05g, 0.1g, 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 60854-81-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 5 In Stock Shenzhen Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry

60854-81-1 / 2-chloro-4-methylsulfonyl-1-nitrobenzene

Standard CAS: 60854-81-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60854-81-1
Multi CAS
No
Molecular Formula
C7H6CLNO4S
Molecular Weight
235.650000
Exact Mass
234.970607
InChI
InChI=1S/C7H6ClNO4S/c1-14(12,13)5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChIKey
SUVXUYQMUBDFAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.22
TPSA
77.28

LogP / Solubility

WLOGP
1.65
MLOGP
1.46
XLogP3
1.7
Consensus LogP
1.6
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
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)
-2.98

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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