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CAS 96516-29-9 2-FLUORO-3-NITROBENZALDEHYDE molecular structure lightbox
CAS RN: 96516-29-9

2-FLUORO-3-NITROBENZALDEHYDE

  • Product code: SSC-212024
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 25g, 1g, 10g
  • Available purity: >98%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 96516-29-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 5 In Stock Hong Kong Inquiry
0.25g >98% 5 In Stock Shanghai Inquiry
5g >98% 5 In Stock Shanghai Inquiry
25g >98% 4 In Stock Shenzhen Inquiry
1g >98% 3 In Stock Shenzhen Inquiry
10g >98% 3 In Stock Beijing Inquiry

96516-29-9 / 2-fluoro-3-nitrobenzaldehyde

Standard CAS: 96516-29-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96516-29-9
Multi CAS
No
Molecular Formula
C7FH4NO3
Molecular Weight
169.110000
Exact Mass
169.017521
InChI
InChI=1S/C7H4FNO3/c8-7-5(4-10)2-1-3-6(7)9(11)12/h1-4H
InChIKey
WLDHPJSICUOHTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
38.44
TPSA
60.21

LogP / Solubility

WLOGP
1.55
MLOGP
1.36
XLogP3
1.3
Consensus LogP
1.4
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-2.65

Drug-likeness / Medicinal Chemistry

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

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