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CAS 883987-75-5 3-Fluoro-5-nitrobenzyl bromide molecular structure lightbox
CAS RN: 883987-75-5

3-Fluoro-5-nitrobenzyl bromide

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250417 100mg Out of stock Inquiry
Batchno.20251128 1g Out of stock Inquiry
Batchno.20250905 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260128 5g Out of stock Inquiry
  • Product code: starshine_CAS883987-75-5
  • Purity/Analytical Methods: >99.0%
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883987-75-5 / 1-(bromomethyl)-3-fluoro-5-nitrobenzene

Standard CAS: 883987-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
883987-75-5
Multi CAS
No
Molecular Formula
BC7H5NO2Rf
Molecular Weight
234.020000
Exact Mass
232.948770
InChI
InChI=1S/C7H5BrFNO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2
InChIKey
PKGNYGZIPJHZPG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
45.69
TPSA
43.14

LogP / Solubility

WLOGP
2.63
MLOGP
2.32
XLogP3
2.4
Consensus LogP
2.45
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.28

Drug-likeness / Medicinal Chemistry

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

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