CAS RN: 6575-07-1
2-CHLORO-6-NITROBENZONITRILE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260607 | 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6575-07-1
- Purity/Analytical Methods: >99.0%
6575-07-1 / 2-chloro-6-nitrobenzonitrile
Basic Information
CAS
6575-07-1
Multi CAS
Yes
Molecular Formula
C7H3CLN2O2
Molecular Weight
182.560000
Exact Mass
181.988305
InChI
InChI=1S/C7H3ClN2O2/c8-6-2-1-3-7(10(11)12)5(6)4-9/h1-3H
InChIKey
ZHLCARBDIRRRHD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
42.82
TPSA
66.93
LogP / Solubility
WLOGP
2.12
MLOGP
1.86
XLogP3
2.1
Consensus LogP
2.03
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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)
-2.33
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
