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CAS 284463-96-3 3,4,5-TRIFLUOROTOLUENE molecular structure lightbox
CAS RN: 284463-96-3

3,4,5-TRIFLUOROTOLUENE

  • Product code: SSC-129690
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 284463-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 4 In Stock Shanghai Inquiry
0.25g >97% 4 In Stock Shenzhen Inquiry
1g >97% 4 In Stock Hong Kong Inquiry
5g >97% 4 In Stock Beijing Inquiry
10g >97% 4 In Stock Shanghai Inquiry

284463-96-3 / 1,2,3-trifluoro-5-methylbenzene

Standard CAS: 284463-96-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
284463-96-3
Multi CAS
No
Molecular Formula
C7F3H5
Molecular Weight
146.110000
Exact Mass
146.034335
InChI
InChI=1S/C7H5F3/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChIKey
UHIGHLGTNVYXOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
31.05
TPSA
0.0000

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.6
Consensus LogP
2.38
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-1.9

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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