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CAS 454-16-0 2-Fluoro-5-nitroanisole molecular structure lightbox
CAS RN: 454-16-0

2-Fluoro-5-nitroanisole

  • Product code: SSC-153132
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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: 10g, 25g, 100g
  • 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 454-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

454-16-0 / 1-fluoro-2-methoxy-4-nitrobenzene

Standard CAS: 454-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
454-16-0
Multi CAS
No
Molecular Formula
C7FH6NO3
Molecular Weight
171.130000
Exact Mass
171.033171
InChI
InChI=1S/C7H6FNO3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,1H3
InChIKey
AZNKKZHZGDZSIF-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
3
Molar refractivity
39.61
TPSA
52.37

LogP / Solubility

WLOGP
1.74
MLOGP
1.53
XLogP3
2.3
Consensus LogP
1.86
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.53

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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