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CAS 192863-39-1 Potassium (2-Formylphenyl)trifluoroborate molecular structure lightbox
CAS RN: 192863-39-1

Potassium (2-Formylphenyl)trifluoroborate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250201 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: ICTP1812
  • Purity/Analytical Methods: >98.0%(T)
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192863-39-1 / potassium trifluoro-(2-formylphenyl)boranuide

Standard CAS: 192863-39-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
192863-39-1
Multi CAS
No
Molecular Formula
C7H5BF3KO
Molecular Weight
212.020000
Exact Mass
212.002261
SMILES
[B-](C1=CC=CC=C1C=O)(F)(F)F.[K+]
InChI
InChI=1S/C7H5BF3O.K/c9-8(10,11)7-4-2-1-3-6(7)5-12;/h1-5H;/q-1;+1
InChIKey
LKOXEDSLHPSNSX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.54
TPSA
17.07

LogP / Solubility

WLOGP
-1.44
MLOGP
-1.27
XLogP3
-1.44
Consensus LogP
-1.38
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.08
Class (SILICOS-IT)
Very 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)
-5.04

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (16.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (16.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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