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CAS 363-32-6 ETHYL 2-FLUORO-4-NITROBENZOATE molecular structure lightbox
CAS RN: 363-32-6

ETHYL 2-FLUORO-4-NITROBENZOATE

  • Product code: SSC-143494
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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: 1g
  • 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 363-32-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

363-32-6 / ethyl 2-fluoro-4-nitrobenzoate

Standard CAS: 363-32-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
363-32-6
Multi CAS
No
Molecular Formula
C9FH8NO4
Molecular Weight
213.160000
Exact Mass
213.043736
InChI
InChI=1S/C9H8FNO4/c1-2-15-9(12)7-4-3-6(11(13)14)5-8(7)10/h3-5H,2H2,1H3
InChIKey
KGLJHQMYPYCYCR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
49.01
TPSA
69.44

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
2.1
Consensus LogP
1.9
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.66

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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