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CAS 15721-27-4 Vinyl 2-Chlorobenzoate (stabilized with HQ) molecular structure lightbox
CAS RN: 15721-27-4

Vinyl 2-Chlorobenzoate (stabilized with HQ)

  • Product code: SSC-066305
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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: ≥98%
  • 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 15721-27-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

15721-27-4 / ethenyl 2-chlorobenzoate

Standard CAS: 15721-27-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15721-27-4
Multi CAS
No
Molecular Formula
C9H7ClO2
Molecular Weight
182.600000
Exact Mass
182.013457
SMILES
C=COC(=O)C1=CC=CC=C1Cl
InChI
InChI=1S/C9H7ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2
InChIKey
ZJIHUSWGELHYBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.06
TPSA
26.3

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.9
Consensus LogP
2.62
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-1.96

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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