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CAS 175204-06-5 2-FLUORO-6-PHENOXYBENZONITRILE molecular structure lightbox
CAS RN: 175204-06-5

2-FLUORO-6-PHENOXYBENZONITRILE

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260607 100g Out of stock Inquiry
Batchno.20250218 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251012 1g / 5g / 25g / 100g Out of stock 8-10 business days Inquiry
Batchno.20250917 25g In stock Tianjin Inquiry
Batchno.20250909 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: starshine_CAS175204-06-5
  • Purity/Analytical Methods: >99.0%
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175204-06-5 / 2-fluoro-6-phenoxybenzonitrile

Standard CAS: 175204-06-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
175204-06-5
Multi CAS
No
Molecular Formula
C13H8FNO
Molecular Weight
213.210000
Exact Mass
213.058992
SMILES
C1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#N
InChI
InChI=1S/C13H8FNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
InChIKey
FBHXELGUZCMKQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
57.63
TPSA
33.02

LogP / Solubility

WLOGP
3.49
MLOGP
3.07
XLogP3
3.3
Consensus LogP
3.29
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.83
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.54

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)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (14.3%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (14.3%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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