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CAS 1804933-11-6 1,3-Dibromo-2-(bromomethyl)-5-fluorobenzene molecular structure lightbox
CAS RN: 1804933-11-6

1,3-Dibromo-2-(bromomethyl)-5-fluorobenzene

  • Product code: SSC-081304
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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: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1804933-11-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 1 In Stock Beijing Inquiry

1804933-11-6 / 1,3-dibromo-2-(bromomethyl)-5-fluorobenzene

Standard CAS: 1804933-11-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1804933-11-6
Multi CAS
No
Molecular Formula
C7H4Br3F
Molecular Weight
346.820000
Exact Mass
345.782670
SMILES
C1=C(C=C(C(=C1Br)CBr)Br)F
InChI
InChI=1S/C7H4Br3F/c8-3-5-6(9)1-4(11)2-7(5)10/h1-2H,3H2
InChIKey
QHTINKMUZDQXPW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.43
TPSA
0.0000

LogP / Solubility

WLOGP
4.25
MLOGP
3.75
XLogP3
4
Consensus LogP
4
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82

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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