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A 53385

CAT: 0931-T29497-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29497-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
90247-08-8
Target
Others
Related Pathways
Others
Bioactivity
A 53385 is a biochemical.
Smiles
O=C(O)C1OC2=C(Cl)C=3ON=C(C=4C=CC=CC4F)C3C=C2C1
Molecular Formula
C16H9ClFNO4
Molecular Weight
333.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Furo(3,2-f)-1,2-benzisoxazole-6-carboxylic acid, 8-chloro-3-(2-fluorophenyl)-5,6-dihydro-
CAS Number90247-08-8
PubChem CID174795
IUPAC Name8-chloro-3-(2-fluorophenyl)-5,6-dihydrofuro[3,2-f][1,2]benzoxazole-6-carboxylic acid
Molecular FormulaC16H9ClFNO4
Molecular Weight333.70
XLogP3.7
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity481
SMILES
C1C(OC2=C(C3=C(C=C21)C(=NO3)C4=CC=CC=C4F)Cl)C(=O)O
InChI
InChI=1S/C16H9ClFNO4/c17-12-14-7(6-11(22-14)16(20)21)5-9-13(19-23-15(9)12)8-3-1-2-4-10(8)18/h1-5,11H,6H2,(H,20,21)
InChIKey
CGWOIHAQZNLJFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furo(3,2-f)-1,2-benzisoxazole-6-carboxylic acid, 8-chloro-3-(2-fluorophenyl)-5,6-dihydro-
CAS: 90247-08-8
CID: 174795
Formula: C16H9ClFNO4
MW: 333.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.70
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass333.0204136
Monoisotopic Mass333.0204136
Topological Polar Surface Area72.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5779131A 53385

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