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CAS 84478-88-6 2-chloro-4-fluoro-methoxycarbonyloxybenzene molecular structure lightbox
CAS RN: 84478-88-6

2-chloro-4-fluoro-methoxycarbonyloxybenzene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 50mg Out of stock 5-7 business days Inquiry
  • Product code: LINC926913
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84478-88-6 / (2-chloro-4-fluorophenyl) methyl carbonate

Standard CAS: 84478-88-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84478-88-6
Multi CAS
No
Molecular Formula
C8H6CLFO3
Molecular Weight
204.580000
Exact Mass
203.998950
InChI
InChI=1S/C8H6ClFO3/c1-12-8(11)13-7-3-2-5(10)4-6(7)9/h2-4H,1H3
InChIKey
OYZZFKIAYSRYMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.44
TPSA
35.53

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.8
Consensus LogP
2.58
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
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)
-2.1

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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