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CAS 350-81-2 N-(CHLOROACETYL)-3-FLUOROANILINE molecular structure lightbox
CAS RN: 350-81-2

N-(CHLOROACETYL)-3-FLUOROANILINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 500g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS350-81-2
  • Purity/Analytical Methods: >99.0%
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350-81-2 / 2-chloro-N-(3-fluorophenyl)acetamide

Standard CAS: 350-81-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
350-81-2
Multi CAS
No
Molecular Formula
C8H7CLFNO
Molecular Weight
187.600000
Exact Mass
187.020020
InChI
InChI=1S/C8H7ClFNO/c9-5-8(12)11-7-3-1-2-6(10)4-7/h1-4H,5H2,(H,11,12)
InChIKey
BYGYGNMGANLDQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.75
TPSA
29.1

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
2.2
Consensus LogP
1.99
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.44

Drug-likeness / Medicinal Chemistry

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

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