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CAS 586-96-9 Nitrosobenzene molecular structure lightbox
CAS RN: 586-96-9

Nitrosobenzene

  • Product code: SSC-166884
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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, 25g, 100g, 500g
  • Available purity: >98%
  • 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 586-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Shenzhen Inquiry
25g >98% 2 In Stock Beijing Inquiry
100g >98% 1 In Stock Shanghai Inquiry
500g >98% 0 Out of Stock Beijing Inquiry

586-96-9 / nitrosobenzene

Standard CAS: 586-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
586-96-9
Multi CAS
Yes
Molecular Formula
C6H5NO
Molecular Weight
107.110000
Exact Mass
107.037114
InChI
InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey
NLRKCXQQSUWLCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
31.9
TPSA
29.43

LogP / Solubility

WLOGP
2.08
MLOGP
1.82
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.21
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)
-1.89

Drug-likeness / Medicinal Chemistry

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

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