DHODH-IN-14

CAT: 0607-BA4074-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4074-1Size:1 mg

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CAS Number

1364791-93-4

Molecular Formula

C15H7F4N3O3

Molecular Weight

353.23

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Dhodh-IN-14

CAS Number	1364791-93-4
PubChem CID	57381314
IUPAC Name	4-oxo-N-(2,3,5,6-tetrafluoro-4-phenylphenyl)-1,2,5-oxadiazole-3-carboxamide
Molecular Formula	C15H7F4N3O3
Molecular Weight	353.23
XLogP	3.1
Topological Polar Surface Area	79.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	554

SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2F)F)NC(=O)C3=NONC3=O)F)F

InChI

InChI=1S/C15H7F4N3O3/c16-8-7(6-4-2-1-3-5-6)9(17)11(19)12(10(8)18)20-14(23)13-15(24)22-25-21-13/h1-5H,(H,20,23)(H,22,24)

InChIKey

AMBZERWHSFYQLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1364791-93-4

CID: 57381314

Formula: C15H7F4N3O3

MW: 353.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	353.23
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	353.04235374
Monoisotopic Mass	353.04235374
Topological Polar Surface Area	79.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	554
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