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CAS 34252-94-3 2-Bromo-4-t-butyl-1-fluorobenzene molecular structure lightbox
CAS RN: 34252-94-3

2-Bromo-4-t-butyl-1-fluorobenzene

  • Product code: SSC-140516
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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: ＞97%
  • 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 34252-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

34252-94-3 / 2-bromo-4-tert-butyl-1-fluorobenzene

Standard CAS: 34252-94-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34252-94-3
Multi CAS
No
Molecular Formula
BC10H12Rf
Molecular Weight
231.100000
Exact Mass
230.010640
InChI
InChI=1S/C10H12BrF/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6H,1-3H3
InChIKey
ADCKDGLOIVDKBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.8
TPSA
0.0000

LogP / Solubility

WLOGP
3.89
MLOGP
3.42
XLogP3
4.4
Consensus LogP
3.9
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.39
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)
-1.37

Drug-likeness / Medicinal Chemistry

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

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