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CAS 1202879-00-2 7-Bromo-2-chlorobenzo[d]oxazole molecular structure lightbox
CAS RN: 1202879-00-2

7-Bromo-2-chlorobenzo[d]oxazole

  • Product code: SSC-021160
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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 1202879-00-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shenzhen Inquiry

1202879-00-2 / 7-bromo-2-chloro-1,3-benzoxazole

7-bromo-2-chloro-1,3-benzoxazole | RefChem:545693 | 998-698-3

Standard CAS: 1202879-00-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1202879-00-2
Multi CAS
No
Molecular Formula
C7H3BrClNO
Molecular Weight
232.460000
Exact Mass
230.908650
SMILES
C1=CC2=C(C(=C1)Br)OC(=N2)Cl
InChI
InChI=1S/C7H3BrClNO/c8-4-2-1-3-5-6(4)11-7(9)10-5/h1-3H
InChIKey
WDNICSHMKHFUKS-UHFFFAOYSA-N
Synonyms
7-bromo-2-chloro-1,3-benzoxazole RefChem:545693 998-698-3 7-Bromo-2-chlorobenzo[d]oxazole 7-Bromo-2-chlorobenzoxazole

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
46.72
TPSA
26.03

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.86
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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