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CAS 65295-69-4 2,6-DIFLUOROPHENYL ISOCYANATE molecular structure lightbox
CAS RN: 65295-69-4

2,6-DIFLUOROPHENYL ISOCYANATE

  • Product code: SSC-174946
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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: ≥97%
  • 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 65295-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

65295-69-4 / 1,3-difluoro-2-isocyanatobenzene

Standard CAS: 65295-69-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65295-69-4
Multi CAS
Yes
Molecular Formula
C7F2H3NO
Molecular Weight
155.100000
Exact Mass
155.018270
InChI
InChI=1S/C7H3F2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChIKey
YXHDLKWTPVMIOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
34.14
TPSA
29.43

LogP / Solubility

WLOGP
1.93
MLOGP
1.69
XLogP3
2.9
Consensus LogP
2.17
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-2.29

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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