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CAS 865886-84-6 1-Bromo-4-(difluoromethoxy)-2-nitro-benzene molecular structure lightbox
CAS RN: 865886-84-6

1-Bromo-4-(difluoromethoxy)-2-nitro-benzene

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250423 100mg Out of stock Inquiry
Batchno.20260210 1g Out of stock Inquiry
Batchno.20250318 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20260507 50mg Out of stock Inquiry
  • Product code: starshine_CAS865886-84-6
  • Purity/Analytical Methods: >99.0%
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865886-84-6 / 1-bromo-4-(difluoromethoxy)-2-nitrobenzene

Standard CAS: 865886-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
865886-84-6
Multi CAS
No
Molecular Formula
BC7H4NO3Rf2
Molecular Weight
268.010000
Exact Mass
266.934260
InChI
InChI=1S/C7H4BrF2NO3/c8-5-2-1-4(14-7(9)10)3-6(5)11(12)13/h1-3,7H
InChIKey
LSNTUFKHTNZVDL-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
3.5
Consensus LogP
3.02
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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