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CAS 51796-82-8 5-BroMo-2-chloro-1,3-dinitrobenzene molecular structure lightbox
CAS RN: 51796-82-8

5-BroMo-2-chloro-1,3-dinitrobenzene

  • Product code: SSC-158779
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 51796-82-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry
10g >95% 1 In Stock Hong Kong Inquiry

51796-82-8 / 5-bromo-2-chloro-1,3-dinitrobenzene

Standard CAS: 51796-82-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51796-82-8
Multi CAS
No
Molecular Formula
C6H2BRCLN2O4
Molecular Weight
281.450000
Exact Mass
279.888650
InChI
InChI=1S/C6H2BrClN2O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H
InChIKey
GWQNTICVTKSXRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
52.46
TPSA
86.28

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
3.7
Consensus LogP
3.07
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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