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CAS 1993-09-5 3-FLUORO-PHENYLAMINE HCL molecular structure lightbox
CAS RN: 1993-09-5

3-FLUORO-PHENYLAMINE HCL

  • Product code: SSC-093836
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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 1993-09-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1993-09-5 / 3-fluoroaniline;hydrochloride

Standard CAS: 1993-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1993-09-5
Multi CAS
No
Molecular Formula
C6H7ClFN
Molecular Weight
147.580000
Exact Mass
147.025105
SMILES
C1=CC(=CC(=C1)F)N.Cl
InChI
InChI=1S/C6H6FN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H
InChIKey
MNMXMPLRBXECRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.06
TPSA
26.02

LogP / Solubility

WLOGP
1.83
MLOGP
1.6
XLogP3
1.83
Consensus LogP
1.75
Log S (ESOL)
-2.4
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-2.32

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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