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CAS 15461-27-5 ZIRCONYL CHLORIDE HYDRATE molecular structure lightbox
CAS RN: 15461-27-5

ZIRCONYL CHLORIDE HYDRATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250623 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: starshine_CAS15461-27-5
  • Purity/Analytical Methods: >99.0%
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15461-27-5 / oxozirconium;hydrate;dihydrochloride

Standard CAS: 15461-27-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15461-27-5
Multi CAS
No
Molecular Formula
Cl2H4O2Zr
Molecular Weight
198.160000
Exact Mass
195.863534
SMILES
O.O=[Zr].Cl.Cl
InChI
InChI=1S/2ClH.H2O.O.Zr/h2*1H;1H2;;
InChIKey
VBTPZBJEHPOUOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
1
H-bond donors
3
Molar refractivity
18.8
TPSA
48.57

LogP / Solubility

WLOGP
-0.1
MLOGP
-0.09
XLogP3
-0.1
Consensus LogP
-0.1
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very 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)
-4

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

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