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CAS 1198-62-5 Benzene, 1,4-dichloro-2,3,5,6-tetrafluoro- molecular structure lightbox
CAS RN: 1198-62-5

Benzene, 1,4-dichloro-2,3,5,6-tetrafluoro-

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260315 1g In stock Shandong Inquiry
Batchno.20250718 250mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1198-62-5
  • Purity/Analytical Methods: >99.0%
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1198-62-5 / 1,4-dichloro-2,3,5,6-tetrafluorobenzene

Benzene, 1,4-dichloro-2,3,5,6-tetrafluoro- | DTXSID20454687 | RefChem:323393

Standard CAS: 1198-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1198-62-5
Multi CAS
No
Molecular Formula
C6Cl2F4
Molecular Weight
218.960000
Exact Mass
217.931318
SMILES
C1(=C(C(=C(C(=C1Cl)F)F)Cl)F)F
InChI
InChI=1S/C6Cl2F4/c7-1-3(9)5(11)2(8)6(12)4(1)10
InChIKey
HUBUEVKHTMIROY-UHFFFAOYSA-N
Synonyms
Benzene, 1,4-dichloro-2,3,5,6-tetrafluoro- DTXSID20454687 RefChem:323393 DTXCID50405506 1,4-DICHLOROTETRAFLUOROBENZENE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
H-bond acceptors
4
Molar refractivity
36.29
TPSA
0.0000

LogP / Solubility

WLOGP
3.55
MLOGP
3.13
XLogP3
3.6
Consensus LogP
3.43
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-1.54

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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