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CAS 835633-47-1 1-bromo-2-(difluoromethoxy)-4-nitrobenzene molecular structure lightbox
CAS RN: 835633-47-1

1-bromo-2-(difluoromethoxy)-4-nitrobenzene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250224 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-191348
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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: 0.25g
  • 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 835633-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

835633-47-1 / 1-bromo-2-(difluoromethoxy)-4-nitrobenzene

Standard CAS: 835633-47-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
835633-47-1
Multi CAS
No
Molecular Formula
BC7H4NO3Rf2
Molecular Weight
268.010000
Exact Mass
266.934260
InChI
InChI=1S/C7H4BrF2NO3/c8-5-2-1-4(11(12)13)3-6(5)14-7(9)10/h1-3,7H
InChIKey
JFFPRVLUZCLWSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
47.43
TPSA
52.37

LogP / Solubility

WLOGP
2.96
MLOGP
2.61
XLogP3
3.4
Consensus LogP
2.99
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly 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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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