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CAS 696-31-1 (1-fluorovinyl)benzene molecular structure lightbox
CAS RN: 696-31-1

(1-fluorovinyl)benzene

  • Product code: SSC-179293
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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: 1g
  • 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 696-31-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

696-31-1 / 1-fluoroethenylbenzene

Standard CAS: 696-31-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
696-31-1
Multi CAS
No
Molecular Formula
C8FH7
Molecular Weight
122.140000
Exact Mass
122.053178
InChI
InChI=1S/C8H7F/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2
InChIKey
DAEXAGHVEUWODX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.58
TPSA
0.0000

LogP / Solubility

WLOGP
2.63
MLOGP
2.3
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-1.6

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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