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FB23-2

CAT: 0127-BUP07575-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07575-04Size:50 mg
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CAS Number
2243736-45-8
Purity
=95%
Smiles
Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)NO)c(Cl)c1

Chemical Information

2-((2,6-Dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)-N-hydroxybenzamide
CAS Number2243736-45-8
PubChem CID138454779
IUPAC Name2-[2,6-dichloro-4-(3,5-dimethyl-1,2-oxazol-4-yl)anilino]-N-hydroxybenzamide
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.2
XLogP4.9
Topological Polar Surface Area87.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity486
SMILES
CC1=C(C(=NO1)C)C2=CC(=C(C(=C2)Cl)NC3=CC=CC=C3C(=O)NO)Cl
InChI
InChI=1S/C18H15Cl2N3O3/c1-9-16(10(2)26-23-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(24)22-25/h3-8,21,25H,1-2H3,(H,22,24)
InChIKey
ILHNIWOZZKIBNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((2,6-Dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)-N-hydroxybenzamide
CAS: 2243736-45-8
CID: 138454779
Formula: C18H15Cl2N3O3
MW: 392.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.2
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass391.0490467
Monoisotopic Mass391.0490467
Topological Polar Surface Area87.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity486
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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CatalogName
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