CAS RN: 66232-57-3
2-METHYL-6-NITROBENZOYL CHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260425 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS66232-57-3
- Purity/Analytical Methods: >99.0%
66232-57-3 / 2-methyl-6-nitrobenzoyl chloride
Basic Information
CAS
66232-57-3
Multi CAS
No
Molecular Formula
C8H6CLNO3
Molecular Weight
199.590000
Exact Mass
199.003621
InChI
InChI=1S/C8H6ClNO3/c1-5-3-2-4-6(10(12)13)7(5)8(9)11/h2-4H,1H3
InChIKey
ZMAJSTDJAIVHGZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
48.02
TPSA
60.21
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
1.7
Consensus LogP
2
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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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