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CAS 887267-36-9 1-(2,4-Dichloro-5-fluoro-3-nitrophenyl)ethanone molecular structure lightbox
CAS RN: 887267-36-9

1-(2,4-Dichloro-5-fluoro-3-nitrophenyl)ethanone

  • Product code: SSC-200226
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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: ＞95%
  • 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 887267-36-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

887267-36-9 / 1-(2,4-dichloro-5-fluoro-3-nitrophenyl)ethanone

Standard CAS: 887267-36-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887267-36-9
Multi CAS
No
Molecular Formula
C8H4CL2FNO3
Molecular Weight
252.020000
Exact Mass
250.955227
InChI
InChI=1S/C8H4Cl2FNO3/c1-3(13)4-2-5(11)7(10)8(6(4)9)12(14)15/h2H,1H3
InChIKey
BKFPAPKXZJFNNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.08
TPSA
60.21

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
2.8
Consensus LogP
2.97
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly 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)
-1.95

Drug-likeness / Medicinal Chemistry

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

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