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Benzoxazole, 5-methoxy-

CAT: 0013-GTR19254343-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254343-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Benzoxazole, 5-methoxy- , with CAS No. 132227-03-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Benzoxazole, 5-methoxy- 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
132227-03-3
Product Name Alternative
Compound 132227 03 3, Compound 132227033
Purity
98.34% (May vary between batches)
Smiles
COC1=CC=C2OC=NC2=C1
Molecular Formula
C8H7NO2
Molecular Weight
149.149
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

5-Methoxy-1,3-benzoxazole
CAS Number132227-03-3
PubChem CID12859508
IUPAC Name5-methoxy-1,3-benzoxazole
Molecular FormulaC8H7NO2
Molecular Weight149.15
XLogP1.6
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
COC1=CC2=C(C=C1)OC=N2
InChI
InChI=1S/C8H7NO2/c1-10-6-2-3-8-7(4-6)9-5-11-8/h2-5H,1H3
InChIKey
IQQKXTVYGHYXFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxy-1,3-benzoxazole
CAS: 132227-03-3
CID: 12859508
Formula: C8H7NO2
MW: 149.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.15
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass149.047678466
Monoisotopic Mass149.047678466
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
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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Alternative Products

CatalogName
OR110825-015-Methoxy-1,3-benzoxazole
sc-319637A7-Bromo-5-methoxy-1,3-benzoxazole
OR1112002-Chloro-5-methoxy-1,3-benzoxazole
OR1111895-Methoxy-1,3-benzoxazole-2-thiol
RAA26358-013-Chloro-5-methoxy-1,2-benzoxazole
MBA92487-013- (Bromomethyl) -5-methoxy-1,2-benzoxazole
sc-5064452- (Chloromethyl) -5-methoxy-1,3-benzoxazole
OR1047041-015-Bromo-7-methoxy-1,2-benzoxazole
sc-3255285-Methoxy-2- (methylthio) -1,3-benzoxazole
OR1108705-Methoxy-2-methyl-1,3-benzoxazole

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