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CAS 446-60-6 BENZENE, 2-CHLORO-1-FLUORO-3-METHOXY- molecular structure lightbox
CAS RN: 446-60-6

BENZENE, 2-CHLORO-1-FLUORO-3-METHOXY-

  • Product code: SSC-152641
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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 446-60-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

446-60-6 / 2-chloro-1-fluoro-3-methoxybenzene

Standard CAS: 446-60-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
446-60-6
Multi CAS
No
Molecular Formula
C7H6CLFO
Molecular Weight
160.570000
Exact Mass
160.009121
InChI
InChI=1S/C7H6ClFO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,1H3
InChIKey
HJWRNOKDBGWGMF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.96
TPSA
9.23

LogP / Solubility

WLOGP
2.49
MLOGP
2.18
XLogP3
2.6
Consensus LogP
2.42
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-1.93

Drug-likeness / Medicinal Chemistry

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

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