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CAS 7099-88-9 4-Chlorobenzoylformic acid molecular structure lightbox
CAS RN: 7099-88-9

4-Chlorobenzoylformic acid

  • Product code: SSC-180679
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7099-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

7099-88-9 / 2-(4-chlorophenyl)-2-oxoacetic acid

Standard CAS: 7099-88-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7099-88-9
Multi CAS
Yes
Molecular Formula
C8H5CLO3
Molecular Weight
184.570000
Exact Mass
183.992722
InChI
InChI=1S/C8H5ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12)
InChIKey
RSAXVDMWQCQTDT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.42
TPSA
54.37

LogP / Solubility

WLOGP
1.61
MLOGP
1.41
XLogP3
2
Consensus LogP
1.67
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.7

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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