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CAS 214262-88-1 METHYL 2-CHLORO-4-FLUOROPHENYLACETATE 98 molecular structure lightbox
CAS RN: 214262-88-1

METHYL 2-CHLORO-4-FLUOROPHENYLACETATE 98

  • Product code: SSC-102710
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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
  • 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 214262-88-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

214262-88-1 / methyl 2-(2-chloro-4-fluorophenyl)acetate

Standard CAS: 214262-88-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214262-88-1
Multi CAS
No
Molecular Formula
C9H8ClFO2
Molecular Weight
202.610000
Exact Mass
202.019685
SMILES
COC(=O)CC1=C(C=C(C=C1)F)Cl
InChI
InChI=1S/C9H8ClFO2/c1-13-9(12)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3
InChIKey
DFTYYBRLWCAUHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
47.13
TPSA
26.3

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
2.4
Consensus LogP
2.17
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
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)
-2.4

Drug-likeness / Medicinal Chemistry

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

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