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CAS 29640-99-1 Benzeneacetic acid, 5-fluoro-2-nitro-, Methyl ester molecular structure lightbox
CAS RN: 29640-99-1

Benzeneacetic acid, 5-fluoro-2-nitro-, Methyl ester

  • Product code: SSC-132675
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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, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 29640-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Shenzhen Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Shanghai Inquiry

29640-99-1 / methyl 2-(5-fluoro-2-nitrophenyl)acetate

Standard CAS: 29640-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
29640-99-1
Multi CAS
No
Molecular Formula
C9FH8NO4
Molecular Weight
213.160000
Exact Mass
213.043736
InChI
InChI=1S/C9H8FNO4/c1-15-9(12)5-6-4-7(10)2-3-8(6)11(13)14/h2-4H,5H2,1H3
InChIKey
ABJDBYCUWNTRFB-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
48.77
TPSA
69.44

LogP / Solubility

WLOGP
1.45
MLOGP
1.28
XLogP3
1.6
Consensus LogP
1.44
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.99

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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