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CAS 1186050-58-7 2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid molecular structure lightbox
CAS RN: 1186050-58-7

2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid

Product Availability

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250301 1g In stock Inquiry
Batchno.20250503 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250807 1g Out of stock Inquiry
Batchno.20250926 5g Out of stock Inquiry
  • Product code: SSC-018449
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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: 5g
  • 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 1186050-58-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1186050-58-7 / 2-fluoro-6-(triazol-2-yl)benzoic acid

2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid | DTXSID60736398 | RefChem:261010

Standard CAS: 1186050-58-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1186050-58-7
Multi CAS
Yes
Molecular Formula
C9H6FN3O2
Molecular Weight
207.160000
Exact Mass
207.044405
SMILES
C1=CC(=C(C(=C1)F)C(=O)O)N2N=CC=N2
InChI
InChI=1S/C9H6FN3O2/c10-6-2-1-3-7(8(6)9(14)15)13-11-4-5-12-13/h1-5H,(H,14,15)
InChIKey
NTPOZDBAGMLNQA-UHFFFAOYSA-N
Synonyms
2-Fluoro-6-(2H-1,2,3-triazol-2-yl)benzoic acid DTXSID60736398 RefChem:261010 DTXCID90687142 2-fluoro-6-(triazol-2-yl)benzoic acid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.28
TPSA
68.01

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.5
Consensus LogP
1.19
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-3.2

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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