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CBIO

CAT: 0804-HY-W046317-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W046317-01Size:500 mg
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Description
CBIO (Compound 4e) is a 1,2-Benzisoxazole derivative[1].
CAS Number
61977-29-5
UNSPSC
12352005
Hazard Statement
H302, H315, H318, H335
Target
Drug Derivative
Related Pathways
Others
Field of Research
Others
Purity
99.86
Smiles
O=C1NOC2=C1C=CC(Cl)=C2
Molecular Formula
C7H4ClNO2
Molecular Weight
169.57
Precautions
H302, H315, H318, H335
References & Citations
[1]Kalkote U R, et al. New synthesis of 1, 2-benzisoxazole derivatives[J]. Australian Journal of Chemistry, 1977, 30 (8) : 1847-1850.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-Chloro-3-hydroxy-1,2-benzisoxazole

6-Chlorobenzo[d]isoxazol-3-ol is a benzisoxazole.

CAS Number61977-29-5
PubChem CID2781852
IUPAC Name6-chloro-1,2-benzoxazol-3-one
Molecular FormulaC7H4ClNO2
Molecular Weight169.56
XLogP1.8
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=C1Cl)ONC2=O
InChI
InChI=1S/C7H4ClNO2/c8-4-1-2-5-6(3-4)11-9-7(5)10/h1-3H,(H,9,10)
InChIKey
SJAPSPJRTQCDNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-3-hydroxy-1,2-benzisoxazole
CAS: 61977-29-5
CID: 2781852
Formula: C7H4ClNO2
MW: 169.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.56
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass168.9930561
Monoisotopic Mass168.9930561
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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