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5-CHLOROBENZOXAZOLE

CAT: 0013-GTR19257465-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257465-01Size:100 mg
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Description
5-CHLOROBENZOXAZOLE, with CAS No. 17200-29-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 5-CHLOROBENZOXAZOLE provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
17200-29-2
Product Name Alternative
5 CHLOROBENZOXAZOLE, 5CHLOROBENZOXAZOLE
Purity
≥95% (May vary between batches)
Smiles
ClC1=CC=C2OC=NC2=C1
Molecular Formula
C7H4ClNO
Molecular Weight
153.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Chlorobenzoxazole
CAS Number17200-29-2
PubChem CID28398
IUPAC Name5-chloro-1,3-benzoxazole
Molecular FormulaC7H4ClNO
Molecular Weight153.56
XLogP2.2
Topological Polar Surface Area26
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
C1=CC2=C(C=C1Cl)N=CO2
InChI
InChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChIKey
VWMQXAYLHOSRKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chlorobenzoxazole
CAS: 17200-29-2
CID: 28398
Formula: C7H4ClNO
MW: 153.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.56
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass152.9981414
Monoisotopic Mass152.9981414
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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