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CAS 916792-15-9 4-BROMO-5-FLUORO-2-METHYLBENZONITRILE molecular structure lightbox
CAS RN: 916792-15-9

4-BROMO-5-FLUORO-2-METHYLBENZONITRILE

  • Product code: SSC-205063
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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: ＞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 916792-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

916792-15-9 / 4-bromo-5-fluoro-2-methylbenzonitrile

Standard CAS: 916792-15-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916792-15-9
Multi CAS
No
Molecular Formula
BC8H5NRf
Molecular Weight
214.030000
Exact Mass
212.958940
InChI
InChI=1S/C8H5BrFN/c1-5-2-7(9)8(10)3-6(5)4-11/h2-3H,1H3
InChIKey
ULVCSNKNBWWEMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
H-bond acceptors
1
Molar refractivity
43.55
TPSA
23.79

LogP / Solubility

WLOGP
2.77
MLOGP
2.44
XLogP3
2.8
Consensus LogP
2.67
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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)
-2.06

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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