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6-Bromo-benzoxazolinone

CAT: 0013-GTR19254252-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254252-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
6-Bromo-benzoxazolinone , with CAS No. 19932-85-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 6-Bromo-benzoxazolinone 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
19932-85-5
Product Name Alternative
Compound 19932 85 5, Compound 19932855
Purity
>99.99% (May vary between batches)
Smiles
BrC1=CC=C2NC (=O) OC2=C1
Molecular Formula
C7H4BrNO2
Molecular Weight
214.018
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

6-Bromo-2(3H)-benzoxazolone

Cincreasin is a member of the class of benzoxazoles that is 2-benzoxazolinone substituted at position 6 by a bromo group. It is an organobromine compound and a benzoxazole.

CAS Number19932-85-5
PubChem CID29859
IUPAC Name6-bromo-3H-1,3-benzoxazol-2-one
Molecular FormulaC7H4BrNO2
Molecular Weight214.02
XLogP1.9
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity185
SMILES
C1=CC2=C(C=C1Br)OC(=O)N2
InChI
InChI=1S/C7H4BrNO2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey
DDNKJFBQMQOIKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-2(3H)-benzoxazolone
CAS: 19932-85-5
CID: 29859
Formula: C7H4BrNO2
MW: 214.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.02
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass212.94254
Monoisotopic Mass212.94254
Topological Polar Surface Area38.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity185
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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