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CAS 13669-76-6 BORON TRIFLUORIDE PHOSPHORIC ACID COMPLEX molecular structure lightbox
CAS RN: 13669-76-6

BORON TRIFLUORIDE PHOSPHORIC ACID COMPLEX

  • Product code: SSC-045720
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 13669-76-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

13669-76-6 / phosphoric acid;trifluoroborane

Standard CAS: 13669-76-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13669-76-6
Multi CAS
No
Molecular Formula
BF3H3O4P
Molecular Weight
165.800000
Exact Mass
165.981410
SMILES
B(F)(F)F.OP(=O)(O)O
InChI
InChI=1S/BF3.H3O4P/c2-1(3)4;1-5(2,3)4/h;(H3,1,2,3,4)
InChIKey
LKWKIVHUCKVYOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
H-bond acceptors
1
H-bond donors
3
Molar refractivity
23.34
TPSA
77.76

LogP / Solubility

WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.05
Consensus LogP
-0.05
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-3.77

Drug-likeness / Medicinal Chemistry

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

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