[email protected]
CAS 1092349-89-7 5-CHLORO-2-FLUOROANISOLE molecular structure lightbox
CAS RN: 1092349-89-7

5-CHLORO-2-FLUOROANISOLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250326 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1092349-89-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1092349-89-7 / 4-chloro-1-fluoro-2-methoxybenzene

4-Chloro-1-fluoro-2-methoxybenzene | DTXSID20591122 | RefChem:291303

Standard CAS: 1092349-89-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1092349-89-7
Multi CAS
No
Molecular Formula
C7H6ClFO
Molecular Weight
160.570000
Exact Mass
160.009121
SMILES
COC1=C(C=CC(=C1)Cl)F
InChI
InChI=1S/C7H6ClFO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChIKey
HZOCKBSKQYBWPS-UHFFFAOYSA-N
Synonyms
4-Chloro-1-fluoro-2-methoxybenzene DTXSID20591122 RefChem:291303 DTXCID40541886 5-Chloro-2-fluoroanisole

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.96
TPSA
9.23

LogP / Solubility

WLOGP
2.49
MLOGP
2.18
XLogP3
2.8
Consensus LogP
2.49
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-1.93

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us