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CAS 1373223-13-2 3-BroMo-2-fluoro-4-Methylbenzaldehyde molecular structure lightbox
CAS RN: 1373223-13-2

3-BroMo-2-fluoro-4-Methylbenzaldehyde

  • Product code: SSC-046798
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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, 5g
  • Available purity: >97%
  • 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 1373223-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1373223-13-2 / 3-bromo-2-fluoro-4-methylbenzaldehyde

Standard CAS: 1373223-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1373223-13-2
Multi CAS
No
Molecular Formula
C8H6BrFO
Molecular Weight
217.030000
Exact Mass
215.958610
SMILES
CC1=C(C(=C(C=C1)C=O)F)Br
InChI
InChI=1S/C8H6BrFO/c1-5-2-3-6(4-11)8(10)7(5)9/h2-4H,1H3
InChIKey
AZBJQXQTTQMVIT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
44.22
TPSA
17.07

LogP / Solubility

WLOGP
2.71
MLOGP
2.39
XLogP3
2.5
Consensus LogP
2.53
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-2.12

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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