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CAS 24376-18-9 Benzoyl chloride, 3,4-dinitro- molecular structure lightbox
CAS RN: 24376-18-9

Benzoyl chloride, 3,4-dinitro-

  • Product code: SSC-118698
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 10g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 24376-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 2 In Stock Shenzhen Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
10g >95% 1 In Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

24376-18-9 / 3,4-dinitrobenzoyl chloride

Standard CAS: 24376-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24376-18-9
Multi CAS
No
Molecular Formula
C7H3ClN2O5
Molecular Weight
230.560000
Exact Mass
229.973049
SMILES
C1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H3ClN2O5/c8-7(11)4-1-2-5(9(12)13)6(3-4)10(14)15/h1-3H
InChIKey
ZEMNPBSGWVIXTF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
49.93
TPSA
103.35

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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