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CAS 18902-42-6 Ruthenium(II) Nitrosyl Chloride molecular structure lightbox
CAS RN: 18902-42-6

Ruthenium(II) Nitrosyl Chloride

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251009 100mg In stock Shanghai Inquiry
Batchno.20251110 1g In stock Shanghai, Chengdu Inquiry
Batchno.20260626 250mg In stock Shanghai Inquiry
Batchno.20250506 5g In stock Shanghai Inquiry
  • Product code: ICTR0086
  • Purity/Analytical Methods: >97.0%(T)
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18902-42-6 / nitroxyl anion;ruthenium(4+);trichloride

Standard CAS: 18902-42-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18902-42-6
Multi CAS
No
Molecular Formula
Cl3NORu
Molecular Weight
237.400000
Exact Mass
236.808887
SMILES
[N-]=O.[Cl-].[Cl-].[Cl-].[Ru+4]
InChI
InChI=1S/3ClH.NO.Ru/c;;;1-2;/h3*1H;;/q;;;-1;+4/p-3
InChIKey
AUWSZCCJRSCQEP-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count
6
H-bond acceptors
1
Molar refractivity
6.73
TPSA
39.37

LogP / Solubility

WLOGP
-8.67
MLOGP
-7.62
XLogP3
-8.67
Consensus LogP
-8.32
Log S (ESOL)
4.15
Class (ESOL)
Highly soluble
Log S (Ali)
4.75
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
5.99
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-10.32

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (16.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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