SS-208

CAT: 0127-BUP11573-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11573-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2245942-72-5

Purity

=98%

Smiles

ONC(=O)c1cc(CCNC(=O)c2ccc(Cl)c(Cl)c2)on1

Chemical Information

5-[2-[(3,4-Dichlorobenzoyl)amino]ethyl]-N-hydroxy-3-isoxazolecarboxamide

CAS Number	2245942-72-5
PubChem CID	135348858
IUPAC Name	5-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-N-hydroxy-1,2-oxazole-3-carboxamide
Molecular Formula	C13H11Cl2N3O4
Molecular Weight	344.15
XLogP	2
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	413

SMILES

C1=CC(=C(C=C1C(=O)NCCC2=CC(=NO2)C(=O)NO)Cl)Cl

InChI

InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20)

InChIKey

JFGOILLZIAIYGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2245942-72-5

CID: 135348858

Formula: C13H11Cl2N3O4

MW: 344.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.15
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	343.0126612
Monoisotopic Mass	343.0126612
Topological Polar Surface Area	104 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	413
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes