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CAS 652-30-2 Benzene, (dichloromethyl)pentafluoro- molecular structure lightbox
CAS RN: 652-30-2

Benzene, (dichloromethyl)pentafluoro-

  • Product code: SSC-174871
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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 652-30-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

652-30-2 / 1-(dichloromethyl)-2,3,4,5,6-pentafluorobenzene

Standard CAS: 652-30-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
652-30-2
Multi CAS
No
Molecular Formula
C7HCL2F5
Molecular Weight
250.980000
Exact Mass
249.937546
InChI
InChI=1S/C7HCl2F5/c8-7(9)1-2(10)4(12)6(14)5(13)3(1)11/h7H
InChIKey
NUQVDXRFRFBTSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
40.68
TPSA
0.0000

LogP / Solubility

WLOGP
3.86
MLOGP
3.4
XLogP3
3.5
Consensus LogP
3.59
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-1.51

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

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