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CAS 34662-36-7 3-chloro-5-nitro-benzoic acid molecular structure lightbox
CAS RN: 34662-36-7

3-chloro-5-nitro-benzoic acid

  • Product code: SSC-141224
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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: 1g, 0.25g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 34662-36-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 2 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry

34662-36-7 / (4-nitrophenyl) carbonochloridate

Standard CAS: 34662-36-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
34662-36-7
Multi CAS
Yes
Molecular Formula
C7H4CLNO4
Molecular Weight
201.560000
Exact Mass
200.982885
InChI
InChI=1S/C7H4ClNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
InChIKey
YLQAJBKACBLUCM-UHFFFAOYSA-N

Physical Properties

Physical Description
Cream crystals with an acrid odor
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
44.97
TPSA
69.44

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.6
Consensus LogP
2.33
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-2.29

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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